#===============================================================================
#
#mol_id    
 mol_id                        079308.002                                           x06_c6h12.079308.002
#
#mol_spec  
 mol_spec        label         x06_c6h12.079308.002                                 x06_c6h12.079308.002
 mol_spec        topo_id       79308                                                x06_c6h12.079308.002
 mol_spec        smiles_obabel C1CCCCC1                                             x06_c6h12.079308.002
 mol_spec        x_atoms       CCCCCC                                               x06_c6h12.079308.002
 mol_spec        h_atoms       222222                                               x06_c6h12.079308.002
 mol_spec        x_atpair_mat  00011.0101.110.00.0                                  x06_c6h12.079308.002
#
#calc      
 calc            status          1                                                  x06_c6h12.079308.002
 calc            warn_level      A                                                  x06_c6h12.079308.002
 calc            fate          SUCCESS_NEUTRAL_WARNING_LOW                          x06_c6h12.079308.002
 calc            database      standard                                             x06_c6h12.079308.002
#
#calc            warn 1 :      t1           delta_t1     bse_b6       bse_eccsd    
#calc            warn 2 :      exc_ene      exc_osmin    exc_osmax                 
#calc            warn 3 :      vib_linear   vib_imag     bsr_neg                   
 calc            warn 1        0            0            0            0             x06_c6h12.079308.002
 calc            warn 2        0            0            0                          x06_c6h12.079308.002
 calc            warn 3        0            0            0                          x06_c6h12.079308.002
#
#duplicate_found            
 duplicate_found               none                                                 x06_c6h12.079308.002
#
#duplicate_of               
 duplicate_of                  none                                                 x06_c6h12.079308.002
#
#bond_topo  1 of  1
 bond_topo  1    topo_id       79308                                                x06_c6h12.079308.002
 bond_topo  1    info          icm.S                                                x06_c6h12.079308.002
 bond_topo  1    smiles_rdkit  C1CCCCC1                                             x06_c6h12.079308.002
 bond_topo  1    x_atoms       CCCCCC                                               x06_c6h12.079308.002
 bond_topo  1    h_atoms       222222                                               x06_c6h12.079308.002
 bond_topo  1    x_atpair_mat  00011.0101.110.00.0                                  x06_c6h12.079308.002
#
#ini_geo atompos                           x           y           z                (au)
 ini_geo atompos     1 C            1.389894    2.266916   -0.653656                x06_c6h12.079308.002
 ini_geo atompos     2 C           -2.629743   -0.067463    0.692207                x06_c6h12.079308.002
 ini_geo atompos     3 C            1.438648   -2.470439   -0.024566                x06_c6h12.079308.002
 ini_geo atompos     4 C           -1.366650   -2.251987   -0.690506                x06_c6h12.079308.002
 ini_geo atompos     5 C            2.662435    0.054424    0.674821                x06_c6h12.079308.002
 ini_geo atompos     6 C           -1.410681    2.471384    0.036094                x06_c6h12.079308.002
 ini_geo atompos     7 H            2.352709    4.038912   -0.182737                x06_c6h12.079308.002
 ini_geo atompos     8 H            1.575087    2.023141   -2.704765                x06_c6h12.079308.002
 ini_geo atompos     9 H           -4.650427   -0.004157    0.243775                x06_c6h12.079308.002
 ini_geo atompos    10 H           -2.489525   -0.387583    2.736323                x06_c6h12.079308.002
 ini_geo atompos    11 H            2.437936   -3.312690   -1.633479                x06_c6h12.079308.002
 ini_geo atompos    12 H            1.684124   -3.786444    1.557323                x06_c6h12.079308.002
 ini_geo atompos    13 H           -1.566205   -1.966071   -2.734812                x06_c6h12.079308.002
 ini_geo atompos    14 H           -2.326253   -4.033432   -0.249444                x06_c6h12.079308.002
 ini_geo atompos    15 H            4.679907    0.000756    0.211082                x06_c6h12.079308.002
 ini_geo atompos    16 H            2.536579    0.332403    2.725930                x06_c6h12.079308.002
 ini_geo atompos    17 H           -2.421117    3.346516   -1.547875                x06_c6h12.079308.002
 ini_geo atompos    18 H           -1.645007    3.754508    1.646896                x06_c6h12.079308.002
#
#ini_geo                                                                            (au)
 ini_geo energy                              -235.626685                            x06_c6h12.079308.002
 ini_geo gnorm                                  0.010946                            x06_c6h12.079308.002
#
#opt_geo atompos                           x           y           z                (au)
 opt_geo atompos     1 C            1.378476    2.227332   -0.709460                x06_c6h12.079308.002
 opt_geo atompos     2 C           -2.589365   -0.078428    0.747194                x06_c6h12.079308.002
 opt_geo atompos     3 C            1.445666   -2.482537   -0.024551                x06_c6h12.079308.002
 opt_geo atompos     4 C           -1.355664   -2.211225   -0.745637                x06_c6h12.079308.002
 opt_geo atompos     5 C            2.622514    0.064263    0.730309                x06_c6h12.079308.002
 opt_geo atompos     6 C           -1.417756    2.483458    0.036573                x06_c6h12.079308.002
 opt_geo atompos     7 H            2.375783    4.009104   -0.378861                x06_c6h12.079308.002
 opt_geo atompos     8 H            1.538892    1.854138   -2.743027                x06_c6h12.079308.002
 opt_geo atompos     9 H           -4.634386   -0.043118    0.438329                x06_c6h12.079308.002
 opt_geo atompos    10 H           -2.325684   -0.442147    2.771667                x06_c6h12.079308.002
 opt_geo atompos    11 H            2.491464   -3.297794   -1.615011                x06_c6h12.079308.002
 opt_geo atompos    12 H            1.643437   -3.824686    1.539923                x06_c6h12.079308.002
 opt_geo atompos    13 H           -1.530235   -1.796070   -2.769884                x06_c6h12.079308.002
 opt_geo atompos    14 H           -2.350789   -3.999504   -0.444978                x06_c6h12.079308.002
 opt_geo atompos    15 H            4.665287    0.035431    0.406261                x06_c6h12.079308.002
 opt_geo atompos    16 H            2.373267    0.386207    2.763666                x06_c6h12.079308.002
 opt_geo atompos    17 H           -2.474602    3.331055   -1.529494                x06_c6h12.079308.002
 opt_geo atompos    18 H           -1.604594    3.793214    1.629593                x06_c6h12.079308.002
#
#opt_geo                                                                            (au; brot: MHz)
 opt_geo energy                              -235.627738                            x06_c6h12.079308.002
 opt_geo gnorm                                  0.000064                            x06_c6h12.079308.002
 opt_geo enuc                                 256.8020                              x06_c6h12.079308.002
 opt_geo brot        1                       2566.826                               x06_c6h12.079308.002
 opt_geo brot        2                       4192.034                               x06_c6h12.079308.002
 opt_geo brot        3                       4431.383                               x06_c6h12.079308.002
#
#vib zpe                                                                            (unscaled, kcal/mol)
 vib zpe                          107.49                                            x06_c6h12.079308.002
#
#vib freq                          freq      intens                                 (cm-1, km/mol)
 vib freq  1                        0.0         0.0                                 x06_c6h12.079308.002
 vib freq  2                        0.0         0.0                                 x06_c6h12.079308.002
 vib freq  3                        0.0         0.0                                 x06_c6h12.079308.002
 vib freq  4                        0.0         0.0                                 x06_c6h12.079308.002
 vib freq  5                        0.0         0.0                                 x06_c6h12.079308.002
 vib freq  6                        0.0         0.0                                 x06_c6h12.079308.002
 vib freq  7                      122.9         0.0                                 x06_c6h12.079308.002
 vib freq  8                      241.9         0.0                                 x06_c6h12.079308.002
 vib freq  9                      285.3         0.0                                 x06_c6h12.079308.002
 vib freq 10                      431.2         0.4                                 x06_c6h12.079308.002
 vib freq 11                      468.8         0.0                                 x06_c6h12.079308.002
 vib freq 12                      554.9         0.7                                 x06_c6h12.079308.002
 vib freq 13                      767.3         2.0                                 x06_c6h12.079308.002
 vib freq 14                      787.1         2.8                                 x06_c6h12.079308.002
 vib freq 15                      827.0         0.0                                 x06_c6h12.079308.002
 vib freq 16                      888.0         1.8                                 x06_c6h12.079308.002
 vib freq 17                      894.8         2.6                                 x06_c6h12.079308.002
 vib freq 18                      910.7         0.0                                 x06_c6h12.079308.002
 vib freq 19                      950.3         0.0                                 x06_c6h12.079308.002
 vib freq 20                     1026.4         2.0                                 x06_c6h12.079308.002
 vib freq 21                     1054.1         0.0                                 x06_c6h12.079308.002
 vib freq 22                     1077.0         0.6                                 x06_c6h12.079308.002
 vib freq 23                     1127.7         0.0                                 x06_c6h12.079308.002
 vib freq 24                     1135.2         0.0                                 x06_c6h12.079308.002
 vib freq 25                     1156.4         0.2                                 x06_c6h12.079308.002
 vib freq 26                     1182.7         1.9                                 x06_c6h12.079308.002
 vib freq 27                     1270.2         0.3                                 x06_c6h12.079308.002
 vib freq 28                     1282.0         0.0                                 x06_c6h12.079308.002
 vib freq 29                     1312.1         0.0                                 x06_c6h12.079308.002
 vib freq 30                     1320.4         1.9                                 x06_c6h12.079308.002
 vib freq 31                     1340.1         0.5                                 x06_c6h12.079308.002
 vib freq 32                     1367.9         0.1                                 x06_c6h12.079308.002
 vib freq 33                     1383.6         0.0                                 x06_c6h12.079308.002
 vib freq 34                     1384.7         0.1                                 x06_c6h12.079308.002
 vib freq 35                     1391.1         0.5                                 x06_c6h12.079308.002
 vib freq 36                     1396.8         0.0                                 x06_c6h12.079308.002
 vib freq 37                     1494.3         0.1                                 x06_c6h12.079308.002
 vib freq 38                     1494.6         0.6                                 x06_c6h12.079308.002
 vib freq 39                     1504.9         6.1                                 x06_c6h12.079308.002
 vib freq 40                     1510.3         7.0                                 x06_c6h12.079308.002
 vib freq 41                     1518.4        16.5                                 x06_c6h12.079308.002
 vib freq 42                     1532.2         0.0                                 x06_c6h12.079308.002
 vib freq 43                     3030.3        24.9                                 x06_c6h12.079308.002
 vib freq 44                     3038.1        14.3                                 x06_c6h12.079308.002
 vib freq 45                     3039.3         0.0                                 x06_c6h12.079308.002
 vib freq 46                     3045.5        64.4                                 x06_c6h12.079308.002
 vib freq 47                     3050.4         0.1                                 x06_c6h12.079308.002
 vib freq 48                     3051.2        72.2                                 x06_c6h12.079308.002
 vib freq 49                     3075.4        16.4                                 x06_c6h12.079308.002
 vib freq 50                     3078.8        41.1                                 x06_c6h12.079308.002
 vib freq 51                     3089.9        69.0                                 x06_c6h12.079308.002
 vib freq 52                     3095.0         0.0                                 x06_c6h12.079308.002
 vib freq 53                     3099.4        84.1                                 x06_c6h12.079308.002
 vib freq 54                     3106.1       122.0                                 x06_c6h12.079308.002
#
#vib mode  1                             x           y           z                  (f=     0.0 cm-1)
 vib mode  1         1 C           -0.0494      0.2444      0.0342                  x06_c6h12.079308.002
 vib mode  1         2 C            0.0037      0.0837     -0.0754                  x06_c6h12.079308.002
 vib mode  1         3 C            0.1030      0.2368     -0.0333                  x06_c6h12.079308.002
 vib mode  1         4 C            0.1072      0.1489     -0.0829                  x06_c6h12.079308.002
 vib mode  1         5 C           -0.0010      0.2671      0.0264                  x06_c6h12.079308.002
 vib mode  1         6 C           -0.0727      0.1353     -0.0156                  x06_c6h12.079308.002
 vib mode  1         7 H           -0.1184      0.2746      0.0793                  x06_c6h12.079308.002
 vib mode  1         8 H            0.0026      0.2798      0.0318                  x06_c6h12.079308.002
 vib mode  1         9 H            0.0084      0.0164     -0.1140                  x06_c6h12.079308.002
 vib mode  1        10 H           -0.0222      0.0634     -0.0756                  x06_c6h12.079308.002
 vib mode  1        11 H            0.1620      0.2968     -0.0252                  x06_c6h12.079308.002
 vib mode  1        12 H            0.1202      0.2209     -0.0491                  x06_c6h12.079308.002
 vib mode  1        13 H            0.1313      0.1723     -0.0802                  x06_c6h12.079308.002
 vib mode  1        14 H            0.1643      0.1095     -0.1281                  x06_c6h12.079308.002
 vib mode  1        15 H            0.0062      0.3436      0.0650                  x06_c6h12.079308.002
 vib mode  1        16 H           -0.0512      0.2287      0.0263                  x06_c6h12.079308.002
 vib mode  1        17 H           -0.0725      0.1210     -0.0234                  x06_c6h12.079308.002
 vib mode  1        18 H           -0.1492      0.1055      0.0000                  x06_c6h12.079308.002
#
#vib mode  2                             x           y           z                  (f=     0.0 cm-1)
 vib mode  2         1 C            0.1242     -0.0291      0.0821                  x06_c6h12.079308.002
 vib mode  2         2 C            0.0509     -0.0926     -0.2179                  x06_c6h12.079308.002
 vib mode  2         3 C            0.0898     -0.0589     -0.1192                  x06_c6h12.079308.002
 vib mode  2         4 C            0.1262     -0.0276     -0.2485                  x06_c6h12.079308.002
 vib mode  2         5 C            0.0518     -0.0917      0.0507                  x06_c6h12.079308.002
 vib mode  2         6 C            0.0866     -0.0616     -0.0475                  x06_c6h12.079308.002
 vib mode  2         7 H            0.1075     -0.0435      0.2098                  x06_c6h12.079308.002
 vib mode  2         8 H            0.2266      0.0593      0.0740                  x06_c6h12.079308.002
 vib mode  2         9 H            0.0665     -0.0792     -0.3194                  x06_c6h12.079308.002
 vib mode  2        10 H           -0.0510     -0.1806     -0.2205                  x06_c6h12.079308.002
 vib mode  2        11 H            0.1700      0.0103     -0.1020                  x06_c6h12.079308.002
 vib mode  2        12 H            0.0111     -0.1269     -0.1676                  x06_c6h12.079308.002
 vib mode  2        13 H            0.2281      0.0604     -0.2393                  x06_c6h12.079308.002
 vib mode  2        14 H            0.1111     -0.0407     -0.3764                  x06_c6h12.079308.002
 vib mode  2        15 H            0.0681     -0.0775      0.1524                  x06_c6h12.079308.002
 vib mode  2        16 H           -0.0507     -0.1801      0.0522                  x06_c6h12.079308.002
 vib mode  2        17 H            0.1654      0.0064     -0.0639                  x06_c6h12.079308.002
 vib mode  2        18 H            0.0063     -0.1309      0.0000                  x06_c6h12.079308.002
#
#vib mode  3                             x           y           z                  (f=     0.0 cm-1)
 vib mode  3         1 C            0.1705     -0.0068      0.1511                  x06_c6h12.079308.002
 vib mode  3         2 C            0.0160      0.1636      0.0000                  x06_c6h12.079308.002
 vib mode  3         3 C           -0.0427     -0.0016      0.2076                  x06_c6h12.079308.002
 vib mode  3         4 C            0.0000      0.0988      0.0794                  x06_c6h12.079308.002
 vib mode  3         5 C            0.0223     -0.0387      0.2313                  x06_c6h12.079308.002
 vib mode  3         6 C            0.1471      0.1101      0.0232                  x06_c6h12.079308.002
 vib mode  3         7 H            0.2248     -0.0417      0.1754                  x06_c6h12.079308.002
 vib mode  3         8 H            0.2469     -0.0361      0.1625                  x06_c6h12.079308.002
 vib mode  3         9 H            0.0312      0.2394     -0.0918                  x06_c6h12.079308.002
 vib mode  3        10 H           -0.0885      0.1764      0.0159                  x06_c6h12.079308.002
 vib mode  3        11 H           -0.0032     -0.0603      0.2636                  x06_c6h12.079308.002
 vib mode  3        12 H           -0.1647      0.0085      0.2317                  x06_c6h12.079308.002
 vib mode  3        13 H            0.1066      0.0826      0.0669                  x06_c6h12.079308.002
 vib mode  3        14 H           -0.0827      0.1408      0.0552                  x06_c6h12.079308.002
 vib mode  3        15 H            0.0357     -0.1216      0.3229                  x06_c6h12.079308.002
 vib mode  3        16 H           -0.0561     -0.0059      0.2165                  x06_c6h12.079308.002
 vib mode  3        17 H            0.2500      0.1333     -0.0336                  x06_c6h12.079308.002
 vib mode  3        18 H            0.1267      0.1354      0.0000                  x06_c6h12.079308.002
#
#vib mode  4                             x           y           z                  (f=     0.0 cm-1)
 vib mode  4         1 C            0.1551      0.0060     -0.1318                  x06_c6h12.079308.002
 vib mode  4         2 C            0.2054      0.0690      0.1051                  x06_c6h12.079308.002
 vib mode  4         3 C            0.1398      0.0149     -0.0691                  x06_c6h12.079308.002
 vib mode  4         4 C            0.1055      0.0348      0.0715                  x06_c6h12.079308.002
 vib mode  4         5 C            0.2061      0.0128     -0.1655                  x06_c6h12.079308.002
 vib mode  4         6 C            0.1963      0.0465      0.0088                  x06_c6h12.079308.002
 vib mode  4         7 H            0.1913     -0.0001     -0.2082                  x06_c6h12.079308.002
 vib mode  4         8 H            0.0463     -0.0243     -0.1348                  x06_c6h12.079308.002
 vib mode  4         9 H            0.1899      0.0867      0.2100                  x06_c6h12.079308.002
 vib mode  4        10 H            0.3058      0.0946      0.0966                  x06_c6h12.079308.002
 vib mode  4        11 H            0.0491     -0.0187     -0.1116                  x06_c6h12.079308.002
 vib mode  4        12 H            0.2060      0.0347     -0.0605                  x06_c6h12.079308.002
 vib mode  4        13 H            0.0057      0.0083      0.0746                  x06_c6h12.079308.002
 vib mode  4        14 H            0.1018      0.0497      0.1479                  x06_c6h12.079308.002
 vib mode  4        15 H            0.1891     -0.0137     -0.2704                  x06_c6h12.079308.002
 vib mode  4        16 H            0.3143      0.0440     -0.1572                  x06_c6h12.079308.002
 vib mode  4        17 H            0.1247      0.0358      0.0513                  x06_c6h12.079308.002
 vib mode  4        18 H            0.2925      0.0708      0.0000                  x06_c6h12.079308.002
#
#vib mode  5                             x           y           z                  (f=     0.0 cm-1)
 vib mode  5         1 C           -0.0254     -0.0277      0.0145                  x06_c6h12.079308.002
 vib mode  5         2 C            0.0534     -0.1558      0.0265                  x06_c6h12.079308.002
 vib mode  5         3 C            0.1792      0.0014      0.1947                  x06_c6h12.079308.002
 vib mode  5         4 C            0.1804     -0.1555      0.1310                  x06_c6h12.079308.002
 vib mode  5         5 C            0.0471      0.0845      0.1204                  x06_c6h12.079308.002
 vib mode  5         6 C           -0.0515     -0.1286     -0.0485                  x06_c6h12.079308.002
 vib mode  5         7 H           -0.1141      0.0309     -0.0342                  x06_c6h12.079308.002
 vib mode  5         8 H            0.0306     -0.0976      0.0318                  x06_c6h12.079308.002
 vib mode  5         9 H            0.0577     -0.2621     -0.0138                  x06_c6h12.079308.002
 vib mode  5        10 H            0.0316     -0.0667      0.0454                  x06_c6h12.079308.002
 vib mode  5        11 H            0.2472     -0.0107      0.2456                  x06_c6h12.079308.002
 vib mode  5        12 H            0.2115      0.0700      0.2495                  x06_c6h12.079308.002
 vib mode  5        13 H            0.1998     -0.2405      0.1120                  x06_c6h12.079308.002
 vib mode  5        14 H            0.2574     -0.1901      0.1800                  x06_c6h12.079308.002
 vib mode  5        15 H            0.0546      0.1666      0.1604                  x06_c6h12.079308.002
 vib mode  5        16 H           -0.0065      0.1502      0.1034                  x06_c6h12.079308.002
 vib mode  5        17 H           -0.0608     -0.2370     -0.1008                  x06_c6h12.079308.002
 vib mode  5        18 H           -0.1424     -0.0768     -0.1018                  x06_c6h12.079308.002
#
#vib mode  6                             x           y           z                  (f=     0.0 cm-1)
 vib mode  6         1 C            0.0279     -0.0449     -0.2202                  x06_c6h12.079308.002
 vib mode  6         2 C           -0.0354      0.0915     -0.1765                  x06_c6h12.079308.002
 vib mode  6         3 C           -0.0428     -0.0026      0.0782                  x06_c6h12.079308.002
 vib mode  6         4 C           -0.0212     -0.0164     -0.0106                  x06_c6h12.079308.002
 vib mode  6         5 C           -0.0334      0.0317     -0.0521                  x06_c6h12.079308.002
 vib mode  6         6 C            0.0116      0.0336     -0.3079                  x06_c6h12.079308.002
 vib mode  6         7 H            0.0395     -0.0354     -0.3068                  x06_c6h12.079308.002
 vib mode  6         8 H            0.0757     -0.1748     -0.1926                  x06_c6h12.079308.002
 vib mode  6         9 H           -0.0271      0.0951     -0.2311                  x06_c6h12.079308.002
 vib mode  6        10 H           -0.0914      0.2161     -0.1469                  x06_c6h12.079308.002
 vib mode  6        11 H           -0.0112     -0.1145      0.1563                  x06_c6h12.079308.002
 vib mode  6        12 H           -0.0980      0.0937      0.1678                  x06_c6h12.079308.002
 vib mode  6        13 H            0.0353     -0.1419     -0.0412                  x06_c6h12.079308.002
 vib mode  6        14 H           -0.0491      0.0138      0.0765                  x06_c6h12.079308.002
 vib mode  6        15 H           -0.0254     -0.0117      0.0020                  x06_c6h12.079308.002
 vib mode  6        16 H           -0.0818      0.1626     -0.0787                  x06_c6h12.079308.002
 vib mode  6        17 H            0.0613     -0.0531     -0.3883                  x06_c6h12.079308.002
 vib mode  6        18 H           -0.0144      0.1360     -0.3952                  x06_c6h12.079308.002
#
#vib mode  7                             x           y           z                  (f=   122.9 cm-1)
 vib mode  7         1 C            0.0425      0.0243      0.0683                  x06_c6h12.079308.002
 vib mode  7         2 C            0.0422      0.0235      0.0674                  x06_c6h12.079308.002
 vib mode  7         3 C            0.0221      0.0145     -0.1302                  x06_c6h12.079308.002
 vib mode  7         4 C           -0.0420     -0.0256      0.0678                  x06_c6h12.079308.002
 vib mode  7         5 C           -0.0416     -0.0249      0.0669                  x06_c6h12.079308.002
 vib mode  7         6 C           -0.0232     -0.0119     -0.1305                  x06_c6h12.079308.002
 vib mode  7         7 H            0.0147      0.0156      0.1973                  x06_c6h12.079308.002
 vib mode  7         8 H            0.1926      0.0885      0.0680                  x06_c6h12.079308.002
 vib mode  7         9 H            0.0223      0.0015      0.1941                  x06_c6h12.079308.002
 vib mode  7        10 H            0.1699      0.1213      0.0679                  x06_c6h12.079308.002
 vib mode  7        11 H           -0.0358      0.2480     -0.2887                  x06_c6h12.079308.002
 vib mode  7        12 H            0.1944     -0.1499     -0.2936                  x06_c6h12.079308.002
 vib mode  7        13 H           -0.1919     -0.0891      0.0674                  x06_c6h12.079308.002
 vib mode  7        14 H           -0.0134     -0.0195      0.1963                  x06_c6h12.079308.002
 vib mode  7        15 H           -0.0209     -0.0056      0.1934                  x06_c6h12.079308.002
 vib mode  7        16 H           -0.1688     -0.1228      0.0664                  x06_c6h12.079308.002
 vib mode  7        17 H            0.0338     -0.2431     -0.2948                  x06_c6h12.079308.002
 vib mode  7        18 H           -0.1975      0.1565     -0.2899                  x06_c6h12.079308.002
#
#vib mode  8                             x           y           z                  (f=   241.9 cm-1)
 vib mode  8         1 C           -0.0030     -0.0501     -0.0654                  x06_c6h12.079308.002
 vib mode  8         2 C           -0.0449      0.0236     -0.0639                  x06_c6h12.079308.002
 vib mode  8         3 C            0.0545      0.0324     -0.0689                  x06_c6h12.079308.002
 vib mode  8         4 C           -0.0025     -0.0510      0.0639                  x06_c6h12.079308.002
 vib mode  8         5 C           -0.0452      0.0223      0.0656                  x06_c6h12.079308.002
 vib mode  8         6 C            0.0550      0.0309      0.0687                  x06_c6h12.079308.002
 vib mode  8         7 H            0.0342     -0.0360     -0.2547                  x06_c6h12.079308.002
 vib mode  8         8 H           -0.1070     -0.2277     -0.0426                  x06_c6h12.079308.002
 vib mode  8         9 H           -0.0162      0.0522     -0.2513                  x06_c6h12.079308.002
 vib mode  8        10 H           -0.2480      0.0222     -0.0393                  x06_c6h12.079308.002
 vib mode  8        11 H            0.0227      0.2553     -0.2053                  x06_c6h12.079308.002
 vib mode  8        12 H            0.2293     -0.1050     -0.2101                  x06_c6h12.079308.002
 vib mode  8        13 H           -0.1068     -0.2265      0.0385                  x06_c6h12.079308.002
 vib mode  8        14 H            0.0359     -0.0409      0.2520                  x06_c6h12.079308.002
 vib mode  8        15 H           -0.0149      0.0473      0.2555                  x06_c6h12.079308.002
 vib mode  8        16 H           -0.2507      0.0214      0.0421                  x06_c6h12.079308.002
 vib mode  8        17 H            0.0237      0.2499      0.2097                  x06_c6h12.079308.002
 vib mode  8        18 H            0.2310     -0.1087      0.2054                  x06_c6h12.079308.002
#
#vib mode  9                             x           y           z                  (f=   285.3 cm-1)
 vib mode  9         1 C           -0.0279     -0.0850     -0.1025                  x06_c6h12.079308.002
 vib mode  9         2 C            0.0886     -0.0200      0.1027                  x06_c6h12.079308.002
 vib mode  9         3 C           -0.0091      0.0159     -0.0002                  x06_c6h12.079308.002
 vib mode  9         4 C            0.0272      0.0876     -0.1015                  x06_c6h12.079308.002
 vib mode  9         5 C           -0.0874      0.0177      0.1032                  x06_c6h12.079308.002
 vib mode  9         6 C            0.0086     -0.0162     -0.0012                  x06_c6h12.079308.002
 vib mode  9         7 H            0.0017     -0.0620     -0.3245                  x06_c6h12.079308.002
 vib mode  9         8 H           -0.0968     -0.3099     -0.0662                  x06_c6h12.079308.002
 vib mode  9         9 H            0.0558     -0.0391      0.3261                  x06_c6h12.079308.002
 vib mode  9        10 H            0.3179     -0.0715      0.0630                  x06_c6h12.079308.002
 vib mode  9        11 H            0.0730      0.0732      0.0239                  x06_c6h12.079308.002
 vib mode  9        12 H           -0.0987     -0.0281     -0.0261                  x06_c6h12.079308.002
 vib mode  9        13 H            0.0972      0.3129     -0.0609                  x06_c6h12.079308.002
 vib mode  9        14 H           -0.0043      0.0691     -0.3252                  x06_c6h12.079308.002
 vib mode  9        15 H           -0.0534      0.0320      0.3249                  x06_c6h12.079308.002
 vib mode  9        16 H           -0.3152      0.0698      0.0664                  x06_c6h12.079308.002
 vib mode  9        17 H           -0.0730     -0.0759      0.0210                  x06_c6h12.079308.002
 vib mode  9        18 H            0.0965      0.0296     -0.0280                  x06_c6h12.079308.002
#
#vib mode 10                             x           y           z                  (f=   431.2 cm-1)
 vib mode 10         1 C            0.0422      0.1506     -0.0347                  x06_c6h12.079308.002
 vib mode 10         2 C            0.1518     -0.0388     -0.0358                  x06_c6h12.079308.002
 vib mode 10         3 C           -0.0686     -0.0392      0.0225                  x06_c6h12.079308.002
 vib mode 10         4 C           -0.0424     -0.1499     -0.0375                  x06_c6h12.079308.002
 vib mode 10         5 C           -0.1520      0.0395     -0.0340                  x06_c6h12.079308.002
 vib mode 10         6 C            0.0687      0.0387      0.0227                  x06_c6h12.079308.002
 vib mode 10         7 H            0.0742      0.0927      0.1862                  x06_c6h12.079308.002
 vib mode 10         8 H            0.0973      0.3223     -0.0602                  x06_c6h12.079308.002
 vib mode 10         9 H            0.1197      0.0141      0.1882                  x06_c6h12.079308.002
 vib mode 10        10 H            0.3285     -0.0773     -0.0642                  x06_c6h12.079308.002
 vib mode 10        11 H            0.0483     -0.1588      0.1627                  x06_c6h12.079308.002
 vib mode 10        12 H           -0.1133      0.1187      0.1657                  x06_c6h12.079308.002
 vib mode 10        13 H           -0.0975     -0.3204     -0.0660                  x06_c6h12.079308.002
 vib mode 10        14 H           -0.0730     -0.0965      0.1844                  x06_c6h12.079308.002
 vib mode 10        15 H           -0.1184     -0.0181      0.1886                  x06_c6h12.079308.002
 vib mode 10        16 H           -0.3289      0.0786     -0.0603                  x06_c6h12.079308.002
 vib mode 10        17 H           -0.0472      0.1554      0.1662                  x06_c6h12.079308.002
 vib mode 10        18 H            0.1145     -0.1222      0.1625                  x06_c6h12.079308.002
#
#vib mode 11                             x           y           z                  (f=   468.8 cm-1)
 vib mode 11         1 C            0.1801      0.0249     -0.0482                  x06_c6h12.079308.002
 vib mode 11         2 C           -0.1123     -0.1440      0.0468                  x06_c6h12.079308.002
 vib mode 11         3 C           -0.1422      0.2472      0.0031                  x06_c6h12.079308.002
 vib mode 11         4 C           -0.1804     -0.0239     -0.0475                  x06_c6h12.079308.002
 vib mode 11         5 C            0.1127      0.1430      0.0490                  x06_c6h12.079308.002
 vib mode 11         6 C            0.1422     -0.2472     -0.0030                  x06_c6h12.079308.002
 vib mode 11         7 H           -0.0412      0.1485     -0.0443                  x06_c6h12.079308.002
 vib mode 11         8 H            0.2678     -0.0132     -0.0350                  x06_c6h12.079308.002
 vib mode 11         9 H           -0.1083      0.1089      0.0464                  x06_c6h12.079308.002
 vib mode 11        10 H           -0.1235     -0.2385      0.0319                  x06_c6h12.079308.002
 vib mode 11        11 H           -0.1109      0.2491      0.0227                  x06_c6h12.079308.002
 vib mode 11        12 H           -0.1608      0.2214     -0.0167                  x06_c6h12.079308.002
 vib mode 11        13 H           -0.2683      0.0138     -0.0328                  x06_c6h12.079308.002
 vib mode 11        14 H            0.0410     -0.1476     -0.0475                  x06_c6h12.079308.002
 vib mode 11        15 H            0.1086     -0.1098      0.0434                  x06_c6h12.079308.002
 vib mode 11        16 H            0.1237      0.2377      0.0359                  x06_c6h12.079308.002
 vib mode 11        17 H            0.1111     -0.2495      0.0167                  x06_c6h12.079308.002
 vib mode 11        18 H            0.1606     -0.2209     -0.0224                  x06_c6h12.079308.002
#
#vib mode 12                             x           y           z                  (f=   554.9 cm-1)
 vib mode 12         1 C           -0.0520     -0.0509      0.0772                  x06_c6h12.079308.002
 vib mode 12         2 C            0.0693      0.0210     -0.0774                  x06_c6h12.079308.002
 vib mode 12         3 C           -0.0308      0.0535      0.0007                  x06_c6h12.079308.002
 vib mode 12         4 C           -0.0526     -0.0494     -0.0778                  x06_c6h12.079308.002
 vib mode 12         5 C            0.0698      0.0194      0.0773                  x06_c6h12.079308.002
 vib mode 12         6 C           -0.0308      0.0535      0.0006                  x06_c6h12.079308.002
 vib mode 12         7 H           -0.0133     -0.0118     -0.2538                  x06_c6h12.079308.002
 vib mode 12         8 H           -0.1720     -0.3429      0.1183                  x06_c6h12.079308.002
 vib mode 12         9 H            0.0195      0.0007      0.2542                  x06_c6h12.079308.002
 vib mode 12        10 H            0.3813     -0.0212     -0.1225                  x06_c6h12.079308.002
 vib mode 12        11 H            0.0442      0.0877      0.0341                  x06_c6h12.079308.002
 vib mode 12        12 H           -0.0990      0.0070     -0.0323                  x06_c6h12.079308.002
 vib mode 12        13 H           -0.1731     -0.3403     -0.1240                  x06_c6h12.079308.002
 vib mode 12        14 H           -0.0116     -0.0171      0.2538                  x06_c6h12.079308.002
 vib mode 12        15 H            0.0175      0.0059     -0.2545                  x06_c6h12.079308.002
 vib mode 12        16 H            0.3825     -0.0238      0.1194                  x06_c6h12.079308.002
 vib mode 12        17 H            0.0439      0.0884     -0.0326                  x06_c6h12.079308.002
 vib mode 12        18 H           -0.0987      0.0063      0.0332                  x06_c6h12.079308.002
#
#vib mode 13                             x           y           z                  (f=   767.3 cm-1)
 vib mode 13         1 C           -0.0092     -0.0127     -0.0285                  x06_c6h12.079308.002
 vib mode 13         2 C           -0.0158     -0.0009     -0.0285                  x06_c6h12.079308.002
 vib mode 13         3 C           -0.0145     -0.0092      0.0669                  x06_c6h12.079308.002
 vib mode 13         4 C           -0.0089     -0.0126      0.0284                  x06_c6h12.079308.002
 vib mode 13         5 C           -0.0152     -0.0017      0.0286                  x06_c6h12.079308.002
 vib mode 13         6 C           -0.0154     -0.0082     -0.0675                  x06_c6h12.079308.002
 vib mode 13         7 H           -0.0682     -0.0222      0.2112                  x06_c6h12.079308.002
 vib mode 13         8 H            0.2108      0.1373     -0.0379                  x06_c6h12.079308.002
 vib mode 13         9 H           -0.0512     -0.0517      0.2115                  x06_c6h12.079308.002
 vib mode 13        10 H            0.2241      0.1136     -0.0384                  x06_c6h12.079308.002
 vib mode 13        11 H           -0.0809      0.3212     -0.1486                  x06_c6h12.079308.002
 vib mode 13        12 H            0.2360     -0.2287     -0.1555                  x06_c6h12.079308.002
 vib mode 13        13 H            0.2094      0.1355      0.0391                  x06_c6h12.079308.002
 vib mode 13        14 H           -0.0684     -0.0174     -0.2090                  x06_c6h12.079308.002
 vib mode 13        15 H           -0.0520     -0.0466     -0.2104                  x06_c6h12.079308.002
 vib mode 13        16 H            0.2231      0.1118      0.0390                  x06_c6h12.079308.002
 vib mode 13        17 H           -0.0804      0.3201      0.1566                  x06_c6h12.079308.002
 vib mode 13        18 H            0.2391     -0.2337      0.1501                  x06_c6h12.079308.002
#
#vib mode 14                             x           y           z                  (f=   787.1 cm-1)
 vib mode 14         1 C           -0.0040     -0.0780     -0.0155                  x06_c6h12.079308.002
 vib mode 14         2 C           -0.0691      0.0361     -0.0141                  x06_c6h12.079308.002
 vib mode 14         3 C            0.0619      0.0361     -0.0298                  x06_c6h12.079308.002
 vib mode 14         4 C            0.0040      0.0784     -0.0143                  x06_c6h12.079308.002
 vib mode 14         5 C            0.0693     -0.0358     -0.0156                  x06_c6h12.079308.002
 vib mode 14         6 C           -0.0620     -0.0353     -0.0295                  x06_c6h12.079308.002
 vib mode 14         7 H           -0.1351     -0.0583      0.2799                  x06_c6h12.079308.002
 vib mode 14         8 H            0.1790      0.1714     -0.0445                  x06_c6h12.079308.002
 vib mode 14         9 H           -0.1148     -0.0934      0.2801                  x06_c6h12.079308.002
 vib mode 14        10 H            0.2374      0.0699     -0.0457                  x06_c6h12.079308.002
 vib mode 14        11 H            0.0609     -0.2441      0.1160                  x06_c6h12.079308.002
 vib mode 14        12 H           -0.1798      0.1730      0.1211                  x06_c6h12.079308.002
 vib mode 14        13 H           -0.1816     -0.1716     -0.0472                  x06_c6h12.079308.002
 vib mode 14        14 H            0.1376      0.0527      0.2821                  x06_c6h12.079308.002
 vib mode 14        15 H            0.1174      0.0881      0.2831                  x06_c6h12.079308.002
 vib mode 14        16 H           -0.2398     -0.0701     -0.0458                  x06_c6h12.079308.002
 vib mode 14        17 H           -0.0594      0.2385      0.1198                  x06_c6h12.079308.002
 vib mode 14        18 H            0.1783     -0.1733      0.1149                  x06_c6h12.079308.002
#
#vib mode 15                             x           y           z                  (f=   827.0 cm-1)
 vib mode 15         1 C            0.1096      0.1344     -0.0562                  x06_c6h12.079308.002
 vib mode 15         2 C           -0.1706     -0.0284      0.0571                  x06_c6h12.079308.002
 vib mode 15         3 C            0.0842     -0.1460     -0.0015                  x06_c6h12.079308.002
 vib mode 15         4 C           -0.1101     -0.1331     -0.0581                  x06_c6h12.079308.002
 vib mode 15         5 C            0.1711      0.0272      0.0566                  x06_c6h12.079308.002
 vib mode 15         6 C           -0.0843      0.1459      0.0019                  x06_c6h12.079308.002
 vib mode 15         7 H            0.1208      0.1854     -0.3355                  x06_c6h12.079308.002
 vib mode 15         8 H           -0.0499     -0.0756     -0.0320                  x06_c6h12.079308.002
 vib mode 15         9 H           -0.2179     -0.0182      0.3400                  x06_c6h12.079308.002
 vib mode 15        10 H            0.0924      0.0037      0.0304                  x06_c6h12.079308.002
 vib mode 15        11 H            0.0654     -0.1616     -0.0108                  x06_c6h12.079308.002
 vib mode 15        12 H            0.1083     -0.1389      0.0065                  x06_c6h12.079308.002
 vib mode 15        13 H            0.0501      0.0764     -0.0308                  x06_c6h12.079308.002
 vib mode 15        14 H           -0.1235     -0.1782     -0.3388                  x06_c6h12.079308.002
 vib mode 15        15 H            0.2203      0.0111      0.3384                  x06_c6h12.079308.002
 vib mode 15        16 H           -0.0918     -0.0042      0.0311                  x06_c6h12.079308.002
 vib mode 15        17 H           -0.0658      0.1622     -0.0067                  x06_c6h12.079308.002
 vib mode 15        18 H           -0.1079      0.1381      0.0104                  x06_c6h12.079308.002
#
#vib mode 16                             x           y           z                  (f=   888.0 cm-1)
 vib mode 16         1 C           -0.1259      0.0097      0.0292                  x06_c6h12.079308.002
 vib mode 16         2 C            0.0544      0.1143     -0.0276                  x06_c6h12.079308.002
 vib mode 16         3 C            0.0916     -0.1589     -0.0019                  x06_c6h12.079308.002
 vib mode 16         4 C           -0.1261      0.0103     -0.0281                  x06_c6h12.079308.002
 vib mode 16         5 C            0.0546      0.1137      0.0295                  x06_c6h12.079308.002
 vib mode 16         6 C            0.0917     -0.1590     -0.0019                  x06_c6h12.079308.002
 vib mode 16         7 H           -0.3907      0.1527      0.0570                  x06_c6h12.079308.002
 vib mode 16         8 H           -0.0524      0.0656      0.0270                  x06_c6h12.079308.002
 vib mode 16         9 H            0.0631      0.4156     -0.0507                  x06_c6h12.079308.002
 vib mode 16        10 H           -0.0312      0.0786     -0.0251                  x06_c6h12.079308.002
 vib mode 16        11 H            0.0844     -0.1488     -0.0125                  x06_c6h12.079308.002
 vib mode 16        12 H            0.0866     -0.1475      0.0091                  x06_c6h12.079308.002
 vib mode 16        13 H           -0.0522      0.0661     -0.0253                  x06_c6h12.079308.002
 vib mode 16        14 H           -0.3910      0.1539     -0.0511                  x06_c6h12.079308.002
 vib mode 16        15 H            0.0635      0.4143      0.0589                  x06_c6h12.079308.002
 vib mode 16        16 H           -0.0311      0.0781      0.0268                  x06_c6h12.079308.002
 vib mode 16        17 H            0.0847     -0.1493      0.0088                  x06_c6h12.079308.002
 vib mode 16        18 H            0.0864     -0.1473     -0.0128                  x06_c6h12.079308.002
#
#vib mode 17                             x           y           z                  (f=   894.8 cm-1)
 vib mode 17         1 C            0.0240      0.1245     -0.0722                  x06_c6h12.079308.002
 vib mode 17         2 C            0.1195     -0.0402     -0.0745                  x06_c6h12.079308.002
 vib mode 17         3 C           -0.1040     -0.0596      0.0037                  x06_c6h12.079308.002
 vib mode 17         4 C            0.0247      0.1227      0.0752                  x06_c6h12.079308.002
 vib mode 17         5 C            0.1197     -0.0415      0.0731                  x06_c6h12.079308.002
 vib mode 17         6 C           -0.1038     -0.0596     -0.0051                  x06_c6h12.079308.002
 vib mode 17         7 H           -0.1278      0.2392     -0.2300                  x06_c6h12.079308.002
 vib mode 17         8 H           -0.0523      0.0107     -0.0584                  x06_c6h12.079308.002
 vib mode 17         9 H            0.1411     -0.2257     -0.2358                  x06_c6h12.079308.002
 vib mode 17        10 H           -0.0174     -0.0493     -0.0593                  x06_c6h12.079308.002
 vib mode 17        11 H           -0.2704     -0.0211     -0.1249                  x06_c6h12.079308.002
 vib mode 17        12 H           -0.1548     -0.2207     -0.1274                  x06_c6h12.079308.002
 vib mode 17        13 H           -0.0528      0.0121      0.0602                  x06_c6h12.079308.002
 vib mode 17        14 H           -0.1255      0.2335      0.2343                  x06_c6h12.079308.002
 vib mode 17        15 H            0.1421     -0.2296      0.2286                  x06_c6h12.079308.002
 vib mode 17        16 H           -0.0159     -0.0531      0.0592                  x06_c6h12.079308.002
 vib mode 17        17 H           -0.2697     -0.0211      0.1271                  x06_c6h12.079308.002
 vib mode 17        18 H           -0.1520     -0.2255      0.1249                  x06_c6h12.079308.002
#
#vib mode 18                             x           y           z                  (f=   910.7 cm-1)
 vib mode 18         1 C            0.0121     -0.0348     -0.0482                  x06_c6h12.079308.002
 vib mode 18         2 C           -0.0242      0.0289     -0.0481                  x06_c6h12.079308.002
 vib mode 18         3 C            0.0116      0.0059      0.1058                  x06_c6h12.079308.002
 vib mode 18         4 C           -0.0124      0.0363     -0.0468                  x06_c6h12.079308.002
 vib mode 18         5 C            0.0246     -0.0281     -0.0483                  x06_c6h12.079308.002
 vib mode 18         6 C           -0.0115     -0.0083      0.1056                  x06_c6h12.079308.002
 vib mode 18         7 H            0.0708     -0.1055      0.1515                  x06_c6h12.079308.002
 vib mode 18         8 H           -0.1429      0.2491     -0.1086                  x06_c6h12.079308.002
 vib mode 18         9 H           -0.0540      0.1109      0.1540                  x06_c6h12.079308.002
 vib mode 18        10 H            0.1439     -0.2454     -0.1154                  x06_c6h12.079308.002
 vib mode 18        11 H           -0.0610      0.3067     -0.0984                  x06_c6h12.079308.002
 vib mode 18        12 H            0.2347     -0.2038     -0.1047                  x06_c6h12.079308.002
 vib mode 18        13 H            0.1423     -0.2463     -0.1142                  x06_c6h12.079308.002
 vib mode 18        14 H           -0.0707      0.1035      0.1550                  x06_c6h12.079308.002
 vib mode 18        15 H            0.0559     -0.1157      0.1522                  x06_c6h12.079308.002
 vib mode 18        16 H           -0.1443      0.2479     -0.1088                  x06_c6h12.079308.002
 vib mode 18        17 H            0.0585     -0.3037     -0.1039                  x06_c6h12.079308.002
 vib mode 18        18 H           -0.2360      0.2042     -0.0977                  x06_c6h12.079308.002
#
#vib mode 19                             x           y           z                  (f=   950.3 cm-1)
 vib mode 19         1 C           -0.0017     -0.0060     -0.0884                  x06_c6h12.079308.002
 vib mode 19         2 C            0.0068     -0.0030      0.0880                  x06_c6h12.079308.002
 vib mode 19         3 C            0.0288     -0.0499     -0.0003                  x06_c6h12.079308.002
 vib mode 19         4 C            0.0011      0.0080     -0.0881                  x06_c6h12.079308.002
 vib mode 19         5 C           -0.0062      0.0012      0.0881                  x06_c6h12.079308.002
 vib mode 19         6 C           -0.0289      0.0497      0.0009                  x06_c6h12.079308.002
 vib mode 19         7 H           -0.0061     -0.0571      0.2188                  x06_c6h12.079308.002
 vib mode 19         8 H            0.2808      0.1509     -0.0915                  x06_c6h12.079308.002
 vib mode 19         9 H            0.0501     -0.0181     -0.2201                  x06_c6h12.079308.002
 vib mode 19        10 H           -0.2695     -0.1705      0.0906                  x06_c6h12.079308.002
 vib mode 19        11 H            0.2567      0.0819      0.0825                  x06_c6h12.079308.002
 vib mode 19        12 H           -0.1992     -0.1804     -0.0840                  x06_c6h12.079308.002
 vib mode 19        13 H           -0.2816     -0.1489     -0.0926                  x06_c6h12.079308.002
 vib mode 19        14 H            0.0074      0.0529      0.2201                  x06_c6h12.079308.002
 vib mode 19        15 H           -0.0516      0.0224     -0.2190                  x06_c6h12.079308.002
 vib mode 19        16 H            0.2702      0.1686      0.0922                  x06_c6h12.079308.002
 vib mode 19        17 H           -0.2562     -0.0838      0.0827                  x06_c6h12.079308.002
 vib mode 19        18 H            0.1985      0.1820     -0.0816                  x06_c6h12.079308.002
#
#vib mode 20                             x           y           z                  (f=  1026.4 cm-1)
 vib mode 20         1 C           -0.0739     -0.1335     -0.0072                  x06_c6h12.079308.002
 vib mode 20         2 C            0.1524     -0.0032      0.0061                  x06_c6h12.079308.002
 vib mode 20         3 C           -0.0586      0.1012      0.0014                  x06_c6h12.079308.002
 vib mode 20         4 C           -0.0737     -0.1336      0.0051                  x06_c6h12.079308.002
 vib mode 20         5 C            0.1524     -0.0028     -0.0070                  x06_c6h12.079308.002
 vib mode 20         6 C           -0.0583      0.1014      0.0010                  x06_c6h12.079308.002
 vib mode 20         7 H           -0.1113     -0.1709      0.3130                  x06_c6h12.079308.002
 vib mode 20         8 H           -0.0243      0.2554     -0.0696                  x06_c6h12.079308.002
 vib mode 20         9 H            0.2002      0.0179     -0.3142                  x06_c6h12.079308.002
 vib mode 20        10 H           -0.2082      0.1487      0.0752                  x06_c6h12.079308.002
 vib mode 20        11 H           -0.0579      0.0790      0.0120                  x06_c6h12.079308.002
 vib mode 20        12 H           -0.0390      0.0890     -0.0104                  x06_c6h12.079308.002
 vib mode 20        13 H           -0.0238      0.2540      0.0751                  x06_c6h12.079308.002
 vib mode 20        14 H           -0.1132     -0.1646     -0.3162                  x06_c6h12.079308.002
 vib mode 20        15 H            0.2024      0.0121      0.3126                  x06_c6h12.079308.002
 vib mode 20        16 H           -0.2085      0.1502     -0.0704                  x06_c6h12.079308.002
 vib mode 20        17 H           -0.0575      0.0796     -0.0102                  x06_c6h12.079308.002
 vib mode 20        18 H           -0.0385      0.0891      0.0123                  x06_c6h12.079308.002
#
#vib mode 21                             x           y           z                  (f=  1054.1 cm-1)
 vib mode 21         1 C            0.0829     -0.0788      0.0441                  x06_c6h12.079308.002
 vib mode 21         2 C            0.0265     -0.1101     -0.0465                  x06_c6h12.079308.002
 vib mode 21         3 C            0.0302     -0.0518     -0.0006                  x06_c6h12.079308.002
 vib mode 21         4 C           -0.0826      0.0779      0.0463                  x06_c6h12.079308.002
 vib mode 21         5 C           -0.0269      0.1110     -0.0440                  x06_c6h12.079308.002
 vib mode 21         6 C           -0.0302      0.0517      0.0006                  x06_c6h12.079308.002
 vib mode 21         7 H            0.3504     -0.2310      0.0673                  x06_c6h12.079308.002
 vib mode 21         8 H            0.1485     -0.1395      0.0586                  x06_c6h12.079308.002
 vib mode 21         9 H            0.0240     -0.4165     -0.0754                  x06_c6h12.079308.002
 vib mode 21        10 H            0.0451     -0.1965     -0.0626                  x06_c6h12.079308.002
 vib mode 21        11 H           -0.0394     -0.0724     -0.0348                  x06_c6h12.079308.002
 vib mode 21        12 H            0.0837     -0.0014      0.0348                  x06_c6h12.079308.002
 vib mode 21        13 H           -0.1484      0.1384      0.0625                  x06_c6h12.079308.002
 vib mode 21        14 H           -0.3500      0.2297      0.0746                  x06_c6h12.079308.002
 vib mode 21        15 H           -0.0245      0.4179     -0.0668                  x06_c6h12.079308.002
 vib mode 21        16 H           -0.0454      0.1980     -0.0583                  x06_c6h12.079308.002
 vib mode 21        17 H            0.0394      0.0733     -0.0336                  x06_c6h12.079308.002
 vib mode 21        18 H           -0.0837      0.0005      0.0354                  x06_c6h12.079308.002
#
#vib mode 22                             x           y           z                  (f=  1077.0 cm-1)
 vib mode 22         1 C            0.0856      0.0110     -0.0136                  x06_c6h12.079308.002
 vib mode 22         2 C            0.0523      0.0694     -0.0127                  x06_c6h12.079308.002
 vib mode 22         3 C            0.1147      0.0662      0.0124                  x06_c6h12.079308.002
 vib mode 22         4 C           -0.0858     -0.0108     -0.0133                  x06_c6h12.079308.002
 vib mode 22         5 C           -0.0522     -0.0691     -0.0139                  x06_c6h12.079308.002
 vib mode 22         6 C           -0.1147     -0.0664      0.0118                  x06_c6h12.079308.002
 vib mode 22         7 H            0.2514     -0.0734     -0.0734                  x06_c6h12.079308.002
 vib mode 22         8 H            0.0556     -0.1194      0.0054                  x06_c6h12.079308.002
 vib mode 22         9 H            0.0617      0.2581     -0.0692                  x06_c6h12.079308.002
 vib mode 22        10 H           -0.0755      0.1093      0.0085                  x06_c6h12.079308.002
 vib mode 22        11 H            0.3347      0.0801      0.1512                  x06_c6h12.079308.002
 vib mode 22        12 H            0.2383      0.2473      0.1535                  x06_c6h12.079308.002
 vib mode 22        13 H           -0.0559      0.1195      0.0083                  x06_c6h12.079308.002
 vib mode 22        14 H           -0.2518      0.0746     -0.0706                  x06_c6h12.079308.002
 vib mode 22        15 H           -0.0619     -0.2564     -0.0734                  x06_c6h12.079308.002
 vib mode 22        16 H            0.0750     -0.1090      0.0055                  x06_c6h12.079308.002
 vib mode 22        17 H           -0.3336     -0.0831      0.1518                  x06_c6h12.079308.002
 vib mode 22        18 H           -0.2374     -0.2506      0.1501                  x06_c6h12.079308.002
#
#vib mode 23                             x           y           z                  (f=  1127.7 cm-1)
 vib mode 23         1 C            0.0105      0.0072      0.0008                  x06_c6h12.079308.002
 vib mode 23         2 C           -0.0114     -0.0049     -0.0008                  x06_c6h12.079308.002
 vib mode 23         3 C            0.0160     -0.0285     -0.0004                  x06_c6h12.079308.002
 vib mode 23         4 C            0.0105      0.0072     -0.0008                  x06_c6h12.079308.002
 vib mode 23         5 C           -0.0114     -0.0050      0.0008                  x06_c6h12.079308.002
 vib mode 23         6 C            0.0161     -0.0284     -0.0003                  x06_c6h12.079308.002
 vib mode 23         7 H            0.1092     -0.0478      0.0006                  x06_c6h12.079308.002
 vib mode 23         8 H           -0.3271      0.1568     -0.0513                  x06_c6h12.079308.002
 vib mode 23         9 H           -0.0134     -0.1186     -0.0019                  x06_c6h12.079308.002
 vib mode 23        10 H            0.0286      0.3617      0.0580                  x06_c6h12.079308.002
 vib mode 23        11 H            0.2743      0.1311      0.0881                  x06_c6h12.079308.002
 vib mode 23        12 H           -0.2523     -0.1707     -0.0890                  x06_c6h12.079308.002
 vib mode 23        13 H           -0.3268      0.1556      0.0568                  x06_c6h12.079308.002
 vib mode 23        14 H            0.1096     -0.0480     -0.0025                  x06_c6h12.079308.002
 vib mode 23        15 H           -0.0134     -0.1187     -0.0003                  x06_c6h12.079308.002
 vib mode 23        16 H            0.0282      0.3625     -0.0506                  x06_c6h12.079308.002
 vib mode 23        17 H            0.2739      0.1330     -0.0874                  x06_c6h12.079308.002
 vib mode 23        18 H           -0.2518     -0.1724      0.0871                  x06_c6h12.079308.002
#
#vib mode 24                             x           y           z                  (f=  1135.2 cm-1)
 vib mode 24         1 C            0.1409     -0.0952     -0.0159                  x06_c6h12.079308.002
 vib mode 24         2 C           -0.0119      0.1699     -0.0127                  x06_c6h12.079308.002
 vib mode 24         3 C           -0.1377     -0.0778     -0.1199                  x06_c6h12.079308.002
 vib mode 24         4 C            0.1409     -0.0954      0.0130                  x06_c6h12.079308.002
 vib mode 24         5 C           -0.0118      0.1696      0.0163                  x06_c6h12.079308.002
 vib mode 24         6 C           -0.1369     -0.0803      0.1192                  x06_c6h12.079308.002
 vib mode 24         7 H            0.0928     -0.0854      0.0806                  x06_c6h12.079308.002
 vib mode 24         8 H            0.3307     -0.1335      0.0058                  x06_c6h12.079308.002
 vib mode 24         9 H           -0.0266      0.1224      0.0844                  x06_c6h12.079308.002
 vib mode 24        10 H            0.0496      0.3497      0.0114                  x06_c6h12.079308.002
 vib mode 24        11 H           -0.1310     -0.1764     -0.0683                  x06_c6h12.079308.002
 vib mode 24        12 H           -0.2172     -0.0223     -0.0656                  x06_c6h12.079308.002
 vib mode 24        13 H            0.3308     -0.1335     -0.0109                  x06_c6h12.079308.002
 vib mode 24        14 H            0.0921     -0.0836     -0.0830                  x06_c6h12.079308.002
 vib mode 24        15 H           -0.0273      0.1244     -0.0817                  x06_c6h12.079308.002
 vib mode 24        16 H            0.0496      0.3497     -0.0045                  x06_c6h12.079308.002
 vib mode 24        17 H           -0.1307     -0.1774      0.0658                  x06_c6h12.079308.002
 vib mode 24        18 H           -0.2167     -0.0240      0.0669                  x06_c6h12.079308.002
#
#vib mode 25                             x           y           z                  (f=  1156.4 cm-1)
 vib mode 25         1 C            0.0015      0.0202      0.0463                  x06_c6h12.079308.002
 vib mode 25         2 C            0.0184     -0.0096      0.0459                  x06_c6h12.079308.002
 vib mode 25         3 C           -0.0118     -0.0078      0.0698                  x06_c6h12.079308.002
 vib mode 25         4 C            0.0013      0.0211     -0.0458                  x06_c6h12.079308.002
 vib mode 25         5 C            0.0181     -0.0086     -0.0462                  x06_c6h12.079308.002
 vib mode 25         6 C           -0.0123     -0.0063     -0.0699                  x06_c6h12.079308.002
 vib mode 25         7 H            0.3636     -0.1660     -0.0427                  x06_c6h12.079308.002
 vib mode 25         8 H           -0.0659     -0.0937      0.0585                  x06_c6h12.079308.002
 vib mode 25         9 H            0.0378      0.3984     -0.0354                  x06_c6h12.079308.002
 vib mode 25        10 H           -0.1127     -0.0119      0.0592                  x06_c6h12.079308.002
 vib mode 25        11 H           -0.2332      0.0421     -0.1039                  x06_c6h12.079308.002
 vib mode 25        12 H           -0.0811     -0.2214     -0.1074                  x06_c6h12.079308.002
 vib mode 25        13 H           -0.0662     -0.0926     -0.0600                  x06_c6h12.079308.002
 vib mode 25        14 H            0.3638     -0.1667      0.0369                  x06_c6h12.079308.002
 vib mode 25        15 H            0.0381      0.3977      0.0433                  x06_c6h12.079308.002
 vib mode 25        16 H           -0.1131     -0.0102     -0.0587                  x06_c6h12.079308.002
 vib mode 25        17 H           -0.2324      0.0397      0.1062                  x06_c6h12.079308.002
 vib mode 25        18 H           -0.0802     -0.2234      0.1032                  x06_c6h12.079308.002
#
#vib mode 26                             x           y           z                  (f=  1182.7 cm-1)
 vib mode 26         1 C           -0.0426      0.0136     -0.1127                  x06_c6h12.079308.002
 vib mode 26         2 C           -0.0107     -0.0414     -0.1134                  x06_c6h12.079308.002
 vib mode 26         3 C            0.0546      0.0320     -0.0578                  x06_c6h12.079308.002
 vib mode 26         4 C           -0.0419      0.0113      0.1133                  x06_c6h12.079308.002
 vib mode 26         5 C           -0.0099     -0.0438      0.1127                  x06_c6h12.079308.002
 vib mode 26         6 C            0.0549      0.0308      0.0580                  x06_c6h12.079308.002
 vib mode 26         7 H            0.2115     -0.1766      0.1577                  x06_c6h12.079308.002
 vib mode 26         8 H            0.0116      0.1964     -0.1365                  x06_c6h12.079308.002
 vib mode 26         9 H           -0.0451      0.2680      0.1628                  x06_c6h12.079308.002
 vib mode 26        10 H            0.1742     -0.0847     -0.1398                  x06_c6h12.079308.002
 vib mode 26        11 H           -0.1091     -0.2486     -0.0172                  x06_c6h12.079308.002
 vib mode 26        12 H           -0.2694      0.0307     -0.0135                  x06_c6h12.079308.002
 vib mode 26        13 H            0.0124      0.1934      0.1404                  x06_c6h12.079308.002
 vib mode 26        14 H            0.2106     -0.1734     -0.1630                  x06_c6h12.079308.002
 vib mode 26        15 H           -0.0463      0.2710     -0.1570                  x06_c6h12.079308.002
 vib mode 26        16 H            0.1754     -0.0875      0.1369                  x06_c6h12.079308.002
 vib mode 26        17 H           -0.1091     -0.2484      0.0131                  x06_c6h12.079308.002
 vib mode 26        18 H           -0.2697      0.0300      0.0162                  x06_c6h12.079308.002
#
#vib mode 27                             x           y           z                  (f=  1270.2 cm-1)
 vib mode 27         1 C            0.0227      0.0110     -0.0418                  x06_c6h12.079308.002
 vib mode 27         2 C            0.0207      0.0148     -0.0420                  x06_c6h12.079308.002
 vib mode 27         3 C            0.0178      0.0089      0.0954                  x06_c6h12.079308.002
 vib mode 27         4 C           -0.0230     -0.0101     -0.0418                  x06_c6h12.079308.002
 vib mode 27         5 C           -0.0209     -0.0140     -0.0421                  x06_c6h12.079308.002
 vib mode 27         6 C           -0.0172     -0.0109      0.0953                  x06_c6h12.079308.002
 vib mode 27         7 H           -0.2009      0.1353     -0.0393                  x06_c6h12.079308.002
 vib mode 27         8 H            0.3694     -0.1533      0.0112                  x06_c6h12.079308.002
 vib mode 27         9 H            0.0162     -0.2381     -0.0436                  x06_c6h12.079308.002
 vib mode 27        10 H            0.0524      0.3933      0.0173                  x06_c6h12.079308.002
 vib mode 27        11 H           -0.1129      0.1007     -0.0394                  x06_c6h12.079308.002
 vib mode 27        12 H            0.0310     -0.1478     -0.0425                  x06_c6h12.079308.002
 vib mode 27        13 H           -0.3690      0.1527      0.0168                  x06_c6h12.079308.002
 vib mode 27        14 H            0.2007     -0.1346     -0.0439                  x06_c6h12.079308.002
 vib mode 27        15 H           -0.0165      0.2393     -0.0386                  x06_c6h12.079308.002
 vib mode 27        16 H           -0.0523     -0.3931      0.0095                  x06_c6h12.079308.002
 vib mode 27        17 H            0.1123     -0.0998     -0.0420                  x06_c6h12.079308.002
 vib mode 27        18 H           -0.0310      0.1489     -0.0394                  x06_c6h12.079308.002
#
#vib mode 28                             x           y           z                  (f=  1282.0 cm-1)
 vib mode 28         1 C           -0.0219      0.0515      0.0129                  x06_c6h12.079308.002
 vib mode 28         2 C           -0.0337      0.0450     -0.0120                  x06_c6h12.079308.002
 vib mode 28         3 C           -0.0277      0.0476      0.0007                  x06_c6h12.079308.002
 vib mode 28         4 C            0.0218     -0.0517      0.0117                  x06_c6h12.079308.002
 vib mode 28         5 C            0.0337     -0.0448     -0.0130                  x06_c6h12.079308.002
 vib mode 28         6 C            0.0277     -0.0476     -0.0004                  x06_c6h12.079308.002
 vib mode 28         7 H            0.3161     -0.1319     -0.0219                  x06_c6h12.079308.002
 vib mode 28         8 H           -0.1766      0.0338      0.0033                  x06_c6h12.079308.002
 vib mode 28         9 H           -0.0441     -0.3419      0.0162                  x06_c6h12.079308.002
 vib mode 28        10 H            0.0589      0.1725     -0.0006                  x06_c6h12.079308.002
 vib mode 28        11 H            0.2219      0.1905      0.0958                  x06_c6h12.079308.002
 vib mode 28        12 H           -0.2751     -0.0944     -0.0940                  x06_c6h12.079308.002
 vib mode 28        13 H            0.1764     -0.0336      0.0015                  x06_c6h12.079308.002
 vib mode 28        14 H           -0.3157      0.1320     -0.0171                  x06_c6h12.079308.002
 vib mode 28        15 H            0.0442      0.3412      0.0228                  x06_c6h12.079308.002
 vib mode 28        16 H           -0.0588     -0.1718     -0.0037                  x06_c6h12.079308.002
 vib mode 28        17 H           -0.2214     -0.1928      0.0935                  x06_c6h12.079308.002
 vib mode 28        18 H            0.2748      0.0966     -0.0942                  x06_c6h12.079308.002
#
#vib mode 29                             x           y           z                  (f=  1312.1 cm-1)
 vib mode 29         1 C            0.0036     -0.0036      0.0762                  x06_c6h12.079308.002
 vib mode 29         2 C            0.0004     -0.0033     -0.0761                  x06_c6h12.079308.002
 vib mode 29         3 C            0.0125     -0.0220     -0.0006                  x06_c6h12.079308.002
 vib mode 29         4 C           -0.0031      0.0020      0.0764                  x06_c6h12.079308.002
 vib mode 29         5 C           -0.0009      0.0049     -0.0760                  x06_c6h12.079308.002
 vib mode 29         6 C           -0.0126      0.0220      0.0000                  x06_c6h12.079308.002
 vib mode 29         7 H           -0.1634      0.1172     -0.0861                  x06_c6h12.079308.002
 vib mode 29         8 H            0.1618     -0.2049      0.1250                  x06_c6h12.079308.002
 vib mode 29         9 H           -0.0188      0.1986      0.0905                  x06_c6h12.079308.002
 vib mode 29        10 H            0.0944     -0.2428     -0.1308                  x06_c6h12.079308.002
 vib mode 29        11 H            0.2822      0.1594      0.0844                  x06_c6h12.079308.002
 vib mode 29        12 H           -0.2797     -0.1613     -0.0838                  x06_c6h12.079308.002
 vib mode 29        13 H           -0.1609      0.2021      0.1304                  x06_c6h12.079308.002
 vib mode 29        14 H            0.1628     -0.1155     -0.0901                  x06_c6h12.079308.002
 vib mode 29        15 H            0.0195     -0.2003      0.0861                  x06_c6h12.079308.002
 vib mode 29        16 H           -0.0954      0.2453     -0.1250                  x06_c6h12.079308.002
 vib mode 29        17 H           -0.2811     -0.1609      0.0829                  x06_c6h12.079308.002
 vib mode 29        18 H            0.2788      0.1631     -0.0824                  x06_c6h12.079308.002
#
#vib mode 30                             x           y           z                  (f=  1320.4 cm-1)
 vib mode 30         1 C           -0.0195      0.0136      0.0323                  x06_c6h12.079308.002
 vib mode 30         2 C           -0.0024      0.0246     -0.0316                  x06_c6h12.079308.002
 vib mode 30         3 C            0.0146     -0.0248     -0.0001                  x06_c6h12.079308.002
 vib mode 30         4 C           -0.0197      0.0144     -0.0318                  x06_c6h12.079308.002
 vib mode 30         5 C           -0.0023      0.0242      0.0321                  x06_c6h12.079308.002
 vib mode 30         6 C            0.0144     -0.0248     -0.0004                  x06_c6h12.079308.002
 vib mode 30         7 H            0.2084     -0.1191      0.0508                  x06_c6h12.079308.002
 vib mode 30         8 H           -0.2277      0.0449      0.0171                  x06_c6h12.079308.002
 vib mode 30         9 H           -0.0021     -0.2401     -0.0543                  x06_c6h12.079308.002
 vib mode 30        10 H            0.0739      0.2194     -0.0135                  x06_c6h12.079308.002
 vib mode 30        11 H           -0.2835     -0.2058     -0.1079                  x06_c6h12.079308.002
 vib mode 30        12 H            0.3195      0.1387      0.1061                  x06_c6h12.079308.002
 vib mode 30        13 H           -0.2280      0.0452     -0.0145                  x06_c6h12.079308.002
 vib mode 30        14 H            0.2078     -0.1178     -0.0547                  x06_c6h12.079308.002
 vib mode 30        15 H           -0.0018     -0.2427      0.0496                  x06_c6h12.079308.002
 vib mode 30        16 H            0.0742      0.2191      0.0175                  x06_c6h12.079308.002
 vib mode 30        17 H           -0.2821     -0.2075      0.1053                  x06_c6h12.079308.002
 vib mode 30        18 H            0.3192      0.1412     -0.1057                  x06_c6h12.079308.002
#
#vib mode 31                             x           y           z                  (f=  1340.1 cm-1)
 vib mode 31         1 C           -0.0716      0.0286     -0.0130                  x06_c6h12.079308.002
 vib mode 31         2 C           -0.0115     -0.0757     -0.0144                  x06_c6h12.079308.002
 vib mode 31         3 C            0.0378      0.0217      0.0200                  x06_c6h12.079308.002
 vib mode 31         4 C            0.0716     -0.0283     -0.0139                  x06_c6h12.079308.002
 vib mode 31         5 C            0.0114      0.0756     -0.0130                  x06_c6h12.079308.002
 vib mode 31         6 C           -0.0378     -0.0221      0.0199                  x06_c6h12.079308.002
 vib mode 31         7 H            0.3261     -0.2119      0.0814                  x06_c6h12.079308.002
 vib mode 31         8 H            0.1639     -0.0954      0.0279                  x06_c6h12.079308.002
 vib mode 31         9 H           -0.0195      0.3869      0.0898                  x06_c6h12.079308.002
 vib mode 31        10 H            0.0004      0.1868      0.0308                  x06_c6h12.079308.002
 vib mode 31        11 H           -0.1869     -0.0909     -0.0715                  x06_c6h12.079308.002
 vib mode 31        12 H           -0.1745     -0.1156     -0.0725                  x06_c6h12.079308.002
 vib mode 31        13 H           -0.1627      0.0945      0.0310                  x06_c6h12.079308.002
 vib mode 31        14 H           -0.3259      0.2105      0.0881                  x06_c6h12.079308.002
 vib mode 31        15 H            0.0202     -0.3871      0.0814                  x06_c6h12.079308.002
 vib mode 31        16 H           -0.0005     -0.1871      0.0268                  x06_c6h12.079308.002
 vib mode 31        17 H            0.1875      0.0931     -0.0713                  x06_c6h12.079308.002
 vib mode 31        18 H            0.1738      0.1172     -0.0713                  x06_c6h12.079308.002
#
#vib mode 32                             x           y           z                  (f=  1367.9 cm-1)
 vib mode 32         1 C            0.0679      0.0227      0.0094                  x06_c6h12.079308.002
 vib mode 32         2 C            0.0535      0.0475      0.0097                  x06_c6h12.079308.002
 vib mode 32         3 C            0.1144      0.0660      0.0168                  x06_c6h12.079308.002
 vib mode 32         4 C           -0.0678     -0.0228      0.0095                  x06_c6h12.079308.002
 vib mode 32         5 C           -0.0534     -0.0477      0.0091                  x06_c6h12.079308.002
 vib mode 32         6 C           -0.1146     -0.0664      0.0163                  x06_c6h12.079308.002
 vib mode 32         7 H           -0.0355      0.0950     -0.0648                  x06_c6h12.079308.002
 vib mode 32         8 H           -0.2091      0.0469     -0.0170                  x06_c6h12.079308.002
 vib mode 32         9 H            0.0636     -0.0785     -0.0676                  x06_c6h12.079308.002
 vib mode 32        10 H           -0.0634     -0.2040     -0.0203                  x06_c6h12.079308.002
 vib mode 32        11 H           -0.3279     -0.2241     -0.1270                  x06_c6h12.079308.002
 vib mode 32        12 H           -0.3611     -0.1704     -0.1275                  x06_c6h12.079308.002
 vib mode 32        13 H            0.2086     -0.0460     -0.0191                  x06_c6h12.079308.002
 vib mode 32        14 H            0.0356     -0.0938     -0.0669                  x06_c6h12.079308.002
 vib mode 32        15 H           -0.0639      0.0807     -0.0652                  x06_c6h12.079308.002
 vib mode 32        16 H            0.0635      0.2033     -0.0163                  x06_c6h12.079308.002
 vib mode 32        17 H            0.3286      0.2274     -0.1254                  x06_c6h12.079308.002
 vib mode 32        18 H            0.3609      0.1730     -0.1265                  x06_c6h12.079308.002
#
#vib mode 33                             x           y           z                  (f=  1383.6 cm-1)
 vib mode 33         1 C           -0.0579      0.0661     -0.0163                  x06_c6h12.079308.002
 vib mode 33         2 C            0.0310     -0.0691     -0.0145                  x06_c6h12.079308.002
 vib mode 33         3 C           -0.0654     -0.0402     -0.0474                  x06_c6h12.079308.002
 vib mode 33         4 C           -0.0578      0.0659      0.0180                  x06_c6h12.079308.002
 vib mode 33         5 C            0.0311     -0.0695      0.0129                  x06_c6h12.079308.002
 vib mode 33         6 C           -0.0648     -0.0410      0.0469                  x06_c6h12.079308.002
 vib mode 33         7 H            0.2237     -0.0833     -0.0296                  x06_c6h12.079308.002
 vib mode 33         8 H            0.2571     -0.1363      0.0382                  x06_c6h12.079308.002
 vib mode 33         9 H            0.0449      0.1769     -0.0424                  x06_c6h12.079308.002
 vib mode 33        10 H            0.0127      0.2516      0.0379                  x06_c6h12.079308.002
 vib mode 33        11 H            0.3100      0.1246      0.1167                  x06_c6h12.079308.002
 vib mode 33        12 H            0.2478      0.1875      0.1111                  x06_c6h12.079308.002
 vib mode 33        13 H            0.2573     -0.1357     -0.0429                  x06_c6h12.079308.002
 vib mode 33        14 H            0.2247     -0.0841      0.0267                  x06_c6h12.079308.002
 vib mode 33        15 H            0.0453      0.1764      0.0457                  x06_c6h12.079308.002
 vib mode 33        16 H            0.0124      0.2528     -0.0328                  x06_c6h12.079308.002
 vib mode 33        17 H            0.3085      0.1267     -0.1161                  x06_c6h12.079308.002
 vib mode 33        18 H            0.2459      0.1889     -0.1084                  x06_c6h12.079308.002
#
#vib mode 34                             x           y           z                  (f=  1384.7 cm-1)
 vib mode 34         1 C            0.0812     -0.0230      0.0225                  x06_c6h12.079308.002
 vib mode 34         2 C           -0.0164     -0.0920     -0.0265                  x06_c6h12.079308.002
 vib mode 34         3 C           -0.0207      0.0236     -0.0031                  x06_c6h12.079308.002
 vib mode 34         4 C            0.0804     -0.0220     -0.0233                  x06_c6h12.079308.002
 vib mode 34         5 C           -0.0164     -0.0919      0.0246                  x06_c6h12.079308.002
 vib mode 34         6 C           -0.0208      0.0237      0.0037                  x06_c6h12.079308.002
 vib mode 34         7 H           -0.2815      0.2079     -0.1083                  x06_c6h12.079308.002
 vib mode 34         8 H           -0.2013      0.1293     -0.0286                  x06_c6h12.079308.002
 vib mode 34         9 H           -0.0316      0.3774      0.1116                  x06_c6h12.079308.002
 vib mode 34        10 H           -0.0093      0.2737      0.0381                  x06_c6h12.079308.002
 vib mode 34        11 H           -0.1337     -0.0322     -0.0416                  x06_c6h12.079308.002
 vib mode 34        12 H            0.1357      0.1285      0.0601                  x06_c6h12.079308.002
 vib mode 34        13 H           -0.1985      0.1269      0.0321                  x06_c6h12.079308.002
 vib mode 34        14 H           -0.2794      0.2049      0.1142                  x06_c6h12.079308.002
 vib mode 34        15 H           -0.0325      0.3790     -0.1036                  x06_c6h12.079308.002
 vib mode 34        16 H           -0.0091      0.2722     -0.0319                  x06_c6h12.079308.002
 vib mode 34        17 H           -0.1348     -0.0337      0.0422                  x06_c6h12.079308.002
 vib mode 34        18 H            0.1363      0.1303     -0.0587                  x06_c6h12.079308.002
#
#vib mode 35                             x           y           z                  (f=  1391.1 cm-1)
 vib mode 35         1 C           -0.0453      0.0138      0.0190                  x06_c6h12.079308.002
 vib mode 35         2 C           -0.0108     -0.0469      0.0180                  x06_c6h12.079308.002
 vib mode 35         3 C            0.0753      0.0438     -0.0048                  x06_c6h12.079308.002
 vib mode 35         4 C           -0.0452      0.0138     -0.0184                  x06_c6h12.079308.002
 vib mode 35         5 C           -0.0109     -0.0471     -0.0188                  x06_c6h12.079308.002
 vib mode 35         6 C            0.0751      0.0433      0.0051                  x06_c6h12.079308.002
 vib mode 35         7 H           -0.1194      0.0616     -0.0264                  x06_c6h12.079308.002
 vib mode 35         8 H            0.3269     -0.2229      0.0915                  x06_c6h12.079308.002
 vib mode 35         9 H           -0.0074     -0.1306     -0.0265                  x06_c6h12.079308.002
 vib mode 35        10 H           -0.0290      0.3930      0.0992                  x06_c6h12.079308.002
 vib mode 35        11 H           -0.1805     -0.1481     -0.0784                  x06_c6h12.079308.002
 vib mode 35        12 H           -0.2182     -0.0794     -0.0773                  x06_c6h12.079308.002
 vib mode 35        13 H            0.3254     -0.2195     -0.0979                  x06_c6h12.079308.002
 vib mode 35        14 H           -0.1196      0.0611      0.0288                  x06_c6h12.079308.002
 vib mode 35        15 H           -0.0072     -0.1304      0.0238                  x06_c6h12.079308.002
 vib mode 35        16 H           -0.0298      0.3978     -0.0913                  x06_c6h12.079308.002
 vib mode 35        17 H           -0.1787     -0.1484      0.0765                  x06_c6h12.079308.002
 vib mode 35        18 H           -0.2176     -0.0808      0.0768                  x06_c6h12.079308.002
#
#vib mode 36                             x           y           z                  (f=  1396.8 cm-1)
 vib mode 36         1 C            0.0759     -0.0705      0.0139                  x06_c6h12.079308.002
 vib mode 36         2 C            0.0228     -0.1012     -0.0160                  x06_c6h12.079308.002
 vib mode 36         3 C            0.0202     -0.0340     -0.0003                  x06_c6h12.079308.002
 vib mode 36         4 C           -0.0767      0.0703      0.0158                  x06_c6h12.079308.002
 vib mode 36         5 C           -0.0228      0.1019     -0.0141                  x06_c6h12.079308.002
 vib mode 36         6 C           -0.0196      0.0342      0.0005                  x06_c6h12.079308.002
 vib mode 36         7 H           -0.1371      0.0497      0.0064                  x06_c6h12.079308.002
 vib mode 36         8 H           -0.3356      0.2455     -0.0723                  x06_c6h12.079308.002
 vib mode 36         9 H            0.0254      0.1440     -0.0032                  x06_c6h12.079308.002
 vib mode 36        10 H           -0.0441      0.4156      0.0814                  x06_c6h12.079308.002
 vib mode 36        11 H            0.1532      0.1088      0.0160                  x06_c6h12.079308.002
 vib mode 36        12 H           -0.1737     -0.0794     -0.0168                  x06_c6h12.079308.002
 vib mode 36        13 H            0.3389     -0.2456     -0.0805                  x06_c6h12.079308.002
 vib mode 36        14 H            0.1385     -0.0508      0.0048                  x06_c6h12.079308.002
 vib mode 36        15 H           -0.0253     -0.1471     -0.0049                  x06_c6h12.079308.002
 vib mode 36        16 H            0.0446     -0.4173      0.0722                  x06_c6h12.079308.002
 vib mode 36        17 H           -0.1530     -0.1099      0.0147                  x06_c6h12.079308.002
 vib mode 36        18 H            0.1712      0.0779     -0.0152                  x06_c6h12.079308.002
#
#vib mode 37                             x           y           z                  (f=  1494.3 cm-1)
 vib mode 37         1 C            0.0219      0.0076     -0.0145                  x06_c6h12.079308.002
 vib mode 37         2 C           -0.0172     -0.0154      0.0143                  x06_c6h12.079308.002
 vib mode 37         3 C           -0.0168      0.0290      0.0003                  x06_c6h12.079308.002
 vib mode 37         4 C           -0.0134     -0.0007     -0.0022                  x06_c6h12.079308.002
 vib mode 37         5 C            0.0076      0.0113      0.0024                  x06_c6h12.079308.002
 vib mode 37         6 C            0.0261     -0.0452     -0.0007                  x06_c6h12.079308.002
 vib mode 37         7 H           -0.0698      0.0010      0.2387                  x06_c6h12.079308.002
 vib mode 37         8 H           -0.1506     -0.2121      0.0207                  x06_c6h12.079308.002
 vib mode 37         9 H            0.0314      0.0650     -0.2351                  x06_c6h12.079308.002
 vib mode 37        10 H            0.2566      0.0250     -0.0226                  x06_c6h12.079308.002
 vib mode 37        11 H            0.0961     -0.2251      0.1921                  x06_c6h12.079308.002
 vib mode 37        12 H            0.1448     -0.1917     -0.1965                  x06_c6h12.079308.002
 vib mode 37        13 H            0.0840      0.0872      0.0119                  x06_c6h12.079308.002
 vib mode 37        14 H            0.0298     -0.0032      0.0983                  x06_c6h12.079308.002
 vib mode 37        15 H           -0.0134     -0.0259     -0.1002                  x06_c6h12.079308.002
 vib mode 37        16 H           -0.1195     -0.0290     -0.0113                  x06_c6h12.079308.002
 vib mode 37        17 H           -0.1371      0.3636      0.3095                  x06_c6h12.079308.002
 vib mode 37        18 H           -0.2489      0.3055     -0.3004                  x06_c6h12.079308.002
#
#vib mode 38                             x           y           z                  (f=  1494.6 cm-1)
 vib mode 38         1 C           -0.0100     -0.0107      0.0193                  x06_c6h12.079308.002
 vib mode 38         2 C            0.0144      0.0037     -0.0197                  x06_c6h12.079308.002
 vib mode 38         3 C           -0.0216      0.0376      0.0005                  x06_c6h12.079308.002
 vib mode 38         4 C           -0.0201     -0.0125     -0.0241                  x06_c6h12.079308.002
 vib mode 38         5 C            0.0219      0.0108      0.0247                  x06_c6h12.079308.002
 vib mode 38         6 C           -0.0095      0.0165      0.0002                  x06_c6h12.079308.002
 vib mode 38         7 H            0.0589     -0.0001     -0.1985                  x06_c6h12.079308.002
 vib mode 38         8 H            0.0842      0.1765     -0.0129                  x06_c6h12.079308.002
 vib mode 38         9 H           -0.0277     -0.0549      0.2015                  x06_c6h12.079308.002
 vib mode 38        10 H           -0.1990      0.0144      0.0155                  x06_c6h12.079308.002
 vib mode 38        11 H            0.1066     -0.3294      0.2545                  x06_c6h12.079308.002
 vib mode 38        12 H            0.2293     -0.2519     -0.2608                  x06_c6h12.079308.002
 vib mode 38        13 H            0.1500      0.2606      0.0261                  x06_c6h12.079308.002
 vib mode 38        14 H            0.0888     -0.0068      0.2926                  x06_c6h12.079308.002
 vib mode 38        15 H           -0.0427     -0.0758     -0.3013                  x06_c6h12.079308.002
 vib mode 38        16 H           -0.3094     -0.0003     -0.0234                  x06_c6h12.079308.002
 vib mode 38        17 H            0.0390     -0.1580     -0.1178                  x06_c6h12.079308.002
 vib mode 38        18 H            0.1186     -0.1146      0.1141                  x06_c6h12.079308.002
#
#vib mode 39                             x           y           z                  (f=  1504.9 cm-1)
 vib mode 39         1 C            0.0160      0.0311     -0.0258                  x06_c6h12.079308.002
 vib mode 39         2 C            0.0344     -0.0011     -0.0257                  x06_c6h12.079308.002
 vib mode 39         3 C           -0.0009     -0.0014      0.0032                  x06_c6h12.079308.002
 vib mode 39         4 C            0.0162      0.0305      0.0263                  x06_c6h12.079308.002
 vib mode 39         5 C            0.0346     -0.0017      0.0255                  x06_c6h12.079308.002
 vib mode 39         6 C           -0.0013     -0.0007     -0.0032                  x06_c6h12.079308.002
 vib mode 39         7 H           -0.0571     -0.0063      0.3417                  x06_c6h12.079308.002
 vib mode 39         8 H           -0.1716     -0.3150      0.0340                  x06_c6h12.079308.002
 vib mode 39         9 H           -0.0301     -0.0518      0.3377                  x06_c6h12.079308.002
 vib mode 39        10 H           -0.3558      0.0072      0.0378                  x06_c6h12.079308.002
 vib mode 39        11 H            0.0123      0.0145      0.0049                  x06_c6h12.079308.002
 vib mode 39        12 H            0.0119      0.0098      0.0118                  x06_c6h12.079308.002
 vib mode 39        13 H           -0.1717     -0.3150     -0.0395                  x06_c6h12.079308.002
 vib mode 39        14 H           -0.0596      0.0008     -0.3414                  x06_c6h12.079308.002
 vib mode 39        15 H           -0.0324     -0.0447     -0.3383                  x06_c6h12.079308.002
 vib mode 39        16 H           -0.3555      0.0080     -0.0349                  x06_c6h12.079308.002
 vib mode 39        17 H            0.0139      0.0103     -0.0085                  x06_c6h12.079308.002
 vib mode 39        18 H            0.0150      0.0063     -0.0081                  x06_c6h12.079308.002
#
#vib mode 40                             x           y           z                  (f=  1510.3 cm-1)
 vib mode 40         1 C           -0.0168     -0.0154      0.0214                  x06_c6h12.079308.002
 vib mode 40         2 C            0.0211      0.0075     -0.0210                  x06_c6h12.079308.002
 vib mode 40         3 C            0.0250     -0.0430     -0.0003                  x06_c6h12.079308.002
 vib mode 40         4 C           -0.0164     -0.0144     -0.0209                  x06_c6h12.079308.002
 vib mode 40         5 C            0.0211      0.0068      0.0211                  x06_c6h12.079308.002
 vib mode 40         6 C            0.0245     -0.0427     -0.0007                  x06_c6h12.079308.002
 vib mode 40         7 H            0.0762     -0.0139     -0.2256                  x06_c6h12.079308.002
 vib mode 40         8 H            0.1169      0.2000     -0.0166                  x06_c6h12.079308.002
 vib mode 40         9 H           -0.0232     -0.0761      0.2194                  x06_c6h12.079308.002
 vib mode 40        10 H           -0.2268     -0.0033      0.0183                  x06_c6h12.079308.002
 vib mode 40        11 H           -0.0948      0.2839     -0.2332                  x06_c6h12.079308.002
 vib mode 40        12 H           -0.1959      0.2191      0.2388                  x06_c6h12.079308.002
 vib mode 40        13 H            0.1119      0.1918      0.0190                  x06_c6h12.079308.002
 vib mode 40        14 H            0.0756     -0.0186      0.2159                  x06_c6h12.079308.002
 vib mode 40        15 H           -0.0248     -0.0713     -0.2200                  x06_c6h12.079308.002
 vib mode 40        16 H           -0.2257     -0.0023     -0.0166                  x06_c6h12.079308.002
 vib mode 40        17 H           -0.0914      0.2754      0.2363                  x06_c6h12.079308.002
 vib mode 40        18 H           -0.1946      0.2206     -0.2295                  x06_c6h12.079308.002
#
#vib mode 41                             x           y           z                  (f=  1518.4 cm-1)
 vib mode 41         1 C            0.0137      0.0222     -0.0290                  x06_c6h12.079308.002
 vib mode 41         2 C            0.0248      0.0016     -0.0285                  x06_c6h12.079308.002
 vib mode 41         3 C           -0.0094     -0.0064     -0.0043                  x06_c6h12.079308.002
 vib mode 41         4 C           -0.0141     -0.0219     -0.0297                  x06_c6h12.079308.002
 vib mode 41         5 C           -0.0246     -0.0008     -0.0280                  x06_c6h12.079308.002
 vib mode 41         6 C            0.0095      0.0061     -0.0043                  x06_c6h12.079308.002
 vib mode 41         7 H           -0.0783     -0.0109      0.3442                  x06_c6h12.079308.002
 vib mode 41         8 H           -0.1772     -0.3120      0.0277                  x06_c6h12.079308.002
 vib mode 41         9 H           -0.0445     -0.0674      0.3343                  x06_c6h12.079308.002
 vib mode 41        10 H           -0.3503      0.0013      0.0308                  x06_c6h12.079308.002
 vib mode 41        11 H            0.0099      0.0130     -0.0052                  x06_c6h12.079308.002
 vib mode 41        12 H            0.0097      0.0103      0.0034                  x06_c6h12.079308.002
 vib mode 41        13 H            0.1792      0.3153      0.0334                  x06_c6h12.079308.002
 vib mode 41        14 H            0.0820      0.0035      0.3479                  x06_c6h12.079308.002
 vib mode 41        15 H            0.0464      0.0593      0.3314                  x06_c6h12.079308.002
 vib mode 41        16 H            0.3463     -0.0022      0.0280                  x06_c6h12.079308.002
 vib mode 41        17 H           -0.0106     -0.0112     -0.0038                  x06_c6h12.079308.002
 vib mode 41        18 H           -0.0108     -0.0089      0.0017                  x06_c6h12.079308.002
#
#vib mode 42                             x           y           z                  (f=  1532.2 cm-1)
 vib mode 42         1 C            0.0148      0.0252     -0.0227                  x06_c6h12.079308.002
 vib mode 42         2 C           -0.0304     -0.0007      0.0243                  x06_c6h12.079308.002
 vib mode 42         3 C            0.0175     -0.0298     -0.0003                  x06_c6h12.079308.002
 vib mode 42         4 C           -0.0151     -0.0250     -0.0233                  x06_c6h12.079308.002
 vib mode 42         5 C            0.0304      0.0002      0.0241                  x06_c6h12.079308.002
 vib mode 42         6 C           -0.0172      0.0295      0.0005                  x06_c6h12.079308.002
 vib mode 42         7 H           -0.0524      0.0004      0.2791                  x06_c6h12.079308.002
 vib mode 42         8 H           -0.1472     -0.2535      0.0229                  x06_c6h12.079308.002
 vib mode 42         9 H            0.0251      0.0538     -0.2946                  x06_c6h12.079308.002
 vib mode 42        10 H            0.3113      0.0012     -0.0277                  x06_c6h12.079308.002
 vib mode 42        11 H           -0.0635      0.2006     -0.1633                  x06_c6h12.079308.002
 vib mode 42        12 H           -0.1406      0.1520      0.1673                  x06_c6h12.079308.002
 vib mode 42        13 H            0.1484      0.2556      0.0275                  x06_c6h12.079308.002
 vib mode 42        14 H            0.0549     -0.0062      0.2811                  x06_c6h12.079308.002
 vib mode 42        15 H           -0.0271     -0.0477     -0.2942                  x06_c6h12.079308.002
 vib mode 42        16 H           -0.3100     -0.0007     -0.0253                  x06_c6h12.079308.002
 vib mode 42        17 H            0.0614     -0.1951     -0.1657                  x06_c6h12.079308.002
 vib mode 42        18 H            0.1399     -0.1535      0.1612                  x06_c6h12.079308.002
#
#vib mode 43                             x           y           z                  (f=  3030.3 cm-1)
 vib mode 43         1 C            0.0070      0.0006     -0.0370                  x06_c6h12.079308.002
 vib mode 43         2 C            0.0033      0.0062     -0.0357                  x06_c6h12.079308.002
 vib mode 43         3 C            0.0027      0.0016     -0.0138                  x06_c6h12.079308.002
 vib mode 43         4 C            0.0072     -0.0001      0.0368                  x06_c6h12.079308.002
 vib mode 43         5 C            0.0035      0.0055      0.0359                  x06_c6h12.079308.002
 vib mode 43         6 C            0.0028      0.0013      0.0139                  x06_c6h12.079308.002
 vib mode 43         7 H           -0.0490     -0.0953     -0.0279                  x06_c6h12.079308.002
 vib mode 43         8 H           -0.0310      0.0901      0.4728                  x06_c6h12.079308.002
 vib mode 43         9 H           -0.1005      0.0057     -0.0252                  x06_c6h12.079308.002
 vib mode 43        10 H            0.0651     -0.0782      0.4558                  x06_c6h12.079308.002
 vib mode 43        11 H           -0.0534      0.0462      0.0839                  x06_c6h12.079308.002
 vib mode 43        12 H            0.0137     -0.0690      0.0801                  x06_c6h12.079308.002
 vib mode 43        13 H           -0.0342      0.0996     -0.4695                  x06_c6h12.079308.002
 vib mode 43        14 H           -0.0486     -0.0955      0.0261                  x06_c6h12.079308.002
 vib mode 43        15 H           -0.1006      0.0052      0.0261                  x06_c6h12.079308.002
 vib mode 43        16 H            0.0621     -0.0690     -0.4587                  x06_c6h12.079308.002
 vib mode 43        17 H           -0.0542      0.0480     -0.0828                  x06_c6h12.079308.002
 vib mode 43        18 H            0.0132     -0.0673     -0.0815                  x06_c6h12.079308.002
#
#vib mode 44                             x           y           z                  (f=  3038.1 cm-1)
 vib mode 44         1 C            0.0116      0.0127     -0.0224                  x06_c6h12.079308.002
 vib mode 44         2 C           -0.0168     -0.0043      0.0234                  x06_c6h12.079308.002
 vib mode 44         3 C            0.0138     -0.0240      0.0000                  x06_c6h12.079308.002
 vib mode 44         4 C            0.0117      0.0122      0.0222                  x06_c6h12.079308.002
 vib mode 44         5 C           -0.0169     -0.0037     -0.0231                  x06_c6h12.079308.002
 vib mode 44         6 C            0.0140     -0.0244     -0.0006                  x06_c6h12.079308.002
 vib mode 44         7 H           -0.1169     -0.2127     -0.0494                  x06_c6h12.079308.002
 vib mode 44         8 H           -0.0180      0.0637      0.3141                  x06_c6h12.079308.002
 vib mode 44         9 H            0.2467     -0.0064      0.0476                  x06_c6h12.079308.002
 vib mode 44        10 H           -0.0511      0.0553     -0.3244                  x06_c6h12.079308.002
 vib mode 44        11 H           -0.1387      0.1055      0.2207                  x06_c6h12.079308.002
 vib mode 44        12 H           -0.0246      0.1800     -0.2209                  x06_c6h12.079308.002
 vib mode 44        13 H           -0.0198      0.0689     -0.3072                  x06_c6h12.079308.002
 vib mode 44        14 H           -0.1154     -0.2113      0.0453                  x06_c6h12.079308.002
 vib mode 44        15 H            0.2450     -0.0053     -0.0492                  x06_c6h12.079308.002
 vib mode 44        16 H           -0.0483      0.0481      0.3222                  x06_c6h12.079308.002
 vib mode 44        17 H           -0.1423      0.1116     -0.2207                  x06_c6h12.079308.002
 vib mode 44        18 H           -0.0234      0.1778      0.2278                  x06_c6h12.079308.002
#
#vib mode 45                             x           y           z                  (f=  3039.3 cm-1)
 vib mode 45         1 C           -0.0085     -0.0058      0.0292                  x06_c6h12.079308.002
 vib mode 45         2 C            0.0086      0.0048     -0.0283                  x06_c6h12.079308.002
 vib mode 45         3 C            0.0134     -0.0231     -0.0005                  x06_c6h12.079308.002
 vib mode 45         4 C            0.0089      0.0054      0.0297                  x06_c6h12.079308.002
 vib mode 45         5 C           -0.0090     -0.0043     -0.0285                  x06_c6h12.079308.002
 vib mode 45         6 C           -0.0132      0.0229      0.0001                  x06_c6h12.079308.002
 vib mode 45         7 H            0.0735      0.1398      0.0330                  x06_c6h12.079308.002
 vib mode 45         8 H            0.0251     -0.0755     -0.3830                  x06_c6h12.079308.002
 vib mode 45         9 H           -0.1516      0.0069     -0.0300                  x06_c6h12.079308.002
 vib mode 45        10 H            0.0550     -0.0646      0.3687                  x06_c6h12.079308.002
 vib mode 45        11 H           -0.1348      0.1009      0.2159                  x06_c6h12.079308.002
 vib mode 45        12 H           -0.0217      0.1692     -0.2104                  x06_c6h12.079308.002
 vib mode 45        13 H           -0.0282      0.0846     -0.3866                  x06_c6h12.079308.002
 vib mode 45        14 H           -0.0749     -0.1435      0.0313                  x06_c6h12.079308.002
 vib mode 45        15 H            0.1546     -0.0064     -0.0318                  x06_c6h12.079308.002
 vib mode 45        16 H           -0.0529      0.0576      0.3740                  x06_c6h12.079308.002
 vib mode 45        17 H            0.1346     -0.1039      0.2102                  x06_c6h12.079308.002
 vib mode 45        18 H            0.0199     -0.1631     -0.2118                  x06_c6h12.079308.002
#
#vib mode 46                             x           y           z                  (f=  3045.5 cm-1)
 vib mode 46         1 C            0.0129      0.0122     -0.0291                  x06_c6h12.079308.002
 vib mode 46         2 C            0.0174      0.0055     -0.0288                  x06_c6h12.079308.002
 vib mode 46         3 C           -0.0031     -0.0034      0.0153                  x06_c6h12.079308.002
 vib mode 46         4 C           -0.0131     -0.0116     -0.0292                  x06_c6h12.079308.002
 vib mode 46         5 C           -0.0176     -0.0049     -0.0288                  x06_c6h12.079308.002
 vib mode 46         6 C            0.0031      0.0032      0.0153                  x06_c6h12.079308.002
 vib mode 46         7 H           -0.1237     -0.2216     -0.0530                  x06_c6h12.079308.002
 vib mode 46         8 H           -0.0239      0.0797      0.3988                  x06_c6h12.079308.002
 vib mode 46         9 H           -0.2619      0.0053     -0.0515                  x06_c6h12.079308.002
 vib mode 46        10 H            0.0611     -0.0678      0.3945                  x06_c6h12.079308.002
 vib mode 46        11 H            0.0536     -0.0432     -0.0812                  x06_c6h12.079308.002
 vib mode 46        12 H           -0.0134      0.0858     -0.0997                  x06_c6h12.079308.002
 vib mode 46        13 H            0.0267     -0.0879      0.3969                  x06_c6h12.079308.002
 vib mode 46        14 H            0.1234      0.2229     -0.0493                  x06_c6h12.079308.002
 vib mode 46        15 H            0.2613     -0.0042     -0.0535                  x06_c6h12.079308.002
 vib mode 46        16 H           -0.0584      0.0597      0.3966                  x06_c6h12.079308.002
 vib mode 46        17 H           -0.0533      0.0442     -0.0786                  x06_c6h12.079308.002
 vib mode 46        18 H            0.0128     -0.0848     -0.1029                  x06_c6h12.079308.002
#
#vib mode 47                             x           y           z                  (f=  3050.4 cm-1)
 vib mode 47         1 C           -0.0010      0.0058      0.0232                  x06_c6h12.079308.002
 vib mode 47         2 C           -0.0038      0.0044     -0.0244                  x06_c6h12.079308.002
 vib mode 47         3 C           -0.0198      0.0342      0.0006                  x06_c6h12.079308.002
 vib mode 47         4 C            0.0009     -0.0064      0.0225                  x06_c6h12.079308.002
 vib mode 47         5 C            0.0038     -0.0038     -0.0239                  x06_c6h12.079308.002
 vib mode 47         6 C            0.0203     -0.0351     -0.0003                  x06_c6h12.079308.002
 vib mode 47         7 H           -0.0112     -0.0208      0.0001                  x06_c6h12.079308.002
 vib mode 47         8 H            0.0197     -0.0507     -0.2768                  x06_c6h12.079308.002
 vib mode 47         9 H            0.0085     -0.0004     -0.0032                  x06_c6h12.079308.002
 vib mode 47        10 H            0.0399     -0.0509      0.2945                  x06_c6h12.079308.002
 vib mode 47        11 H            0.2026     -0.1490     -0.3144                  x06_c6h12.079308.002
 vib mode 47        12 H            0.0303     -0.2538      0.3074                  x06_c6h12.079308.002
 vib mode 47        13 H           -0.0211      0.0548     -0.2680                  x06_c6h12.079308.002
 vib mode 47        14 H            0.0126      0.0231     -0.0002                  x06_c6h12.079308.002
 vib mode 47        15 H           -0.0117      0.0004     -0.0024                  x06_c6h12.079308.002
 vib mode 47        16 H           -0.0367      0.0435      0.2872                  x06_c6h12.079308.002
 vib mode 47        17 H           -0.2103      0.1595     -0.3182                  x06_c6h12.079308.002
 vib mode 47        18 H           -0.0289      0.2541      0.3213                  x06_c6h12.079308.002
#
#vib mode 48                             x           y           z                  (f=  3051.2 cm-1)
 vib mode 48         1 C           -0.0062     -0.0020      0.0208                  x06_c6h12.079308.002
 vib mode 48         2 C            0.0049      0.0048     -0.0213                  x06_c6h12.079308.002
 vib mode 48         3 C            0.0201     -0.0350     -0.0003                  x06_c6h12.079308.002
 vib mode 48         4 C           -0.0064     -0.0014     -0.0215                  x06_c6h12.079308.002
 vib mode 48         5 C            0.0048      0.0045      0.0219                  x06_c6h12.079308.002
 vib mode 48         6 C            0.0196     -0.0340     -0.0005                  x06_c6h12.079308.002
 vib mode 48         7 H            0.0468      0.0759      0.0221                  x06_c6h12.079308.002
 vib mode 48         8 H            0.0175     -0.0512     -0.2677                  x06_c6h12.079308.002
 vib mode 48         9 H           -0.0933     -0.0019     -0.0220                  x06_c6h12.079308.002
 vib mode 48        10 H            0.0394     -0.0471      0.2737                  x06_c6h12.079308.002
 vib mode 48        11 H           -0.2047      0.1488      0.3185                  x06_c6h12.079308.002
 vib mode 48        12 H           -0.0295      0.2582     -0.3145                  x06_c6h12.079308.002
 vib mode 48        13 H            0.0200     -0.0584      0.2746                  x06_c6h12.079308.002
 vib mode 48        14 H            0.0466      0.0762     -0.0210                  x06_c6h12.079308.002
 vib mode 48        15 H           -0.0918     -0.0024      0.0225                  x06_c6h12.079308.002
 vib mode 48        16 H            0.0383     -0.0424     -0.2813                  x06_c6h12.079308.002
 vib mode 48        17 H           -0.2010      0.1509     -0.3050                  x06_c6h12.079308.002
 vib mode 48        18 H           -0.0265      0.2443      0.3106                  x06_c6h12.079308.002
#
#vib mode 49                             x           y           z                  (f=  3075.4 cm-1)
 vib mode 49         1 C            0.0121      0.0243      0.0119                  x06_c6h12.079308.002
 vib mode 49         2 C            0.0276     -0.0020      0.0119                  x06_c6h12.079308.002
 vib mode 49         3 C            0.0126      0.0077     -0.0467                  x06_c6h12.079308.002
 vib mode 49         4 C           -0.0119     -0.0244      0.0115                  x06_c6h12.079308.002
 vib mode 49         5 C           -0.0273      0.0018      0.0122                  x06_c6h12.079308.002
 vib mode 49         6 C           -0.0130     -0.0068     -0.0470                  x06_c6h12.079308.002
 vib mode 49         7 H           -0.1543     -0.2763     -0.0538                  x06_c6h12.079308.002
 vib mode 49         8 H            0.0076     -0.0130     -0.0891                  x06_c6h12.079308.002
 vib mode 49         9 H           -0.3205      0.0059     -0.0510                  x06_c6h12.079308.002
 vib mode 49        10 H           -0.0088      0.0153     -0.0919                  x06_c6h12.079308.002
 vib mode 49        11 H           -0.1879      0.1451      0.2816                  x06_c6h12.079308.002
 vib mode 49        12 H            0.0341     -0.2391      0.2755                  x06_c6h12.079308.002
 vib mode 49        13 H           -0.0082      0.0149     -0.0888                  x06_c6h12.079308.002
 vib mode 49        14 H            0.1529      0.2753     -0.0488                  x06_c6h12.079308.002
 vib mode 49        15 H            0.3184     -0.0048     -0.0531                  x06_c6h12.079308.002
 vib mode 49        16 H            0.0082     -0.0135     -0.0927                  x06_c6h12.079308.002
 vib mode 49        17 H            0.1913     -0.1519      0.2793                  x06_c6h12.079308.002
 vib mode 49        18 H           -0.0324      0.2348      0.2823                  x06_c6h12.079308.002
#
#vib mode 50                             x           y           z                  (f=  3078.8 cm-1)
 vib mode 50         1 C            0.0133      0.0245      0.0027                  x06_c6h12.079308.002
 vib mode 50         2 C            0.0283     -0.0009      0.0029                  x06_c6h12.079308.002
 vib mode 50         3 C           -0.0131     -0.0080      0.0458                  x06_c6h12.079308.002
 vib mode 50         4 C            0.0133      0.0246     -0.0023                  x06_c6h12.079308.002
 vib mode 50         5 C            0.0285     -0.0009     -0.0032                  x06_c6h12.079308.002
 vib mode 50         6 C           -0.0133     -0.0070     -0.0456                  x06_c6h12.079308.002
 vib mode 50         7 H           -0.1607     -0.2922     -0.0571                  x06_c6h12.079308.002
 vib mode 50         8 H            0.0003      0.0080      0.0158                  x06_c6h12.079308.002
 vib mode 50         9 H           -0.3391      0.0085     -0.0543                  x06_c6h12.079308.002
 vib mode 50        10 H            0.0067     -0.0032      0.0107                  x06_c6h12.079308.002
 vib mode 50        11 H            0.1864     -0.1428     -0.2774                  x06_c6h12.079308.002
 vib mode 50        12 H           -0.0330      0.2370     -0.2719                  x06_c6h12.079308.002
 vib mode 50        13 H            0.0002      0.0082     -0.0150                  x06_c6h12.079308.002
 vib mode 50        14 H           -0.1611     -0.2948      0.0524                  x06_c6h12.079308.002
 vib mode 50        15 H           -0.3413      0.0074      0.0573                  x06_c6h12.079308.002
 vib mode 50        16 H            0.0065     -0.0029     -0.0099                  x06_c6h12.079308.002
 vib mode 50        17 H            0.1873     -0.1477      0.2717                  x06_c6h12.079308.002
 vib mode 50        18 H           -0.0309      0.2297      0.2750                  x06_c6h12.079308.002
#
#vib mode 51                             x           y           z                  (f=  3089.9 cm-1)
 vib mode 51         1 C           -0.0156     -0.0341     -0.0263                  x06_c6h12.079308.002
 vib mode 51         2 C            0.0372     -0.0041      0.0260                  x06_c6h12.079308.002
 vib mode 51         3 C            0.0042     -0.0071     -0.0005                  x06_c6h12.079308.002
 vib mode 51         4 C           -0.0154     -0.0346      0.0257                  x06_c6h12.079308.002
 vib mode 51         5 C            0.0370     -0.0035     -0.0263                  x06_c6h12.079308.002
 vib mode 51         6 C            0.0042     -0.0071      0.0002                  x06_c6h12.079308.002
 vib mode 51         7 H            0.2057      0.3670      0.0696                  x06_c6h12.079308.002
 vib mode 51         8 H           -0.0183      0.0396      0.2432                  x06_c6h12.079308.002
 vib mode 51         9 H           -0.4167      0.0069     -0.0643                  x06_c6h12.079308.002
 vib mode 51        10 H           -0.0280      0.0407     -0.2446                  x06_c6h12.079308.002
 vib mode 51        11 H           -0.0418      0.0340      0.0658                  x06_c6h12.079308.002
 vib mode 51        12 H           -0.0086      0.0506     -0.0603                  x06_c6h12.079308.002
 vib mode 51        13 H           -0.0200      0.0445     -0.2419                  x06_c6h12.079308.002
 vib mode 51        14 H            0.2049      0.3678     -0.0633                  x06_c6h12.079308.002
 vib mode 51        15 H           -0.4154      0.0056      0.0673                  x06_c6h12.079308.002
 vib mode 51        16 H           -0.0263      0.0356      0.2455                  x06_c6h12.079308.002
 vib mode 51        17 H           -0.0420      0.0352     -0.0645                  x06_c6h12.079308.002
 vib mode 51        18 H           -0.0083      0.0497      0.0619                  x06_c6h12.079308.002
#
#vib mode 52                             x           y           z                  (f=  3095.0 cm-1)
 vib mode 52         1 C            0.0188      0.0360      0.0150                  x06_c6h12.079308.002
 vib mode 52         2 C           -0.0404      0.0021     -0.0146                  x06_c6h12.079308.002
 vib mode 52         3 C            0.0059     -0.0101     -0.0004                  x06_c6h12.079308.002
 vib mode 52         4 C           -0.0187     -0.0363      0.0144                  x06_c6h12.079308.002
 vib mode 52         5 C            0.0405     -0.0018     -0.0150                  x06_c6h12.079308.002
 vib mode 52         6 C           -0.0059      0.0101      0.0000                  x06_c6h12.079308.002
 vib mode 52         7 H           -0.2275     -0.4090     -0.0786                  x06_c6h12.079308.002
 vib mode 52         8 H            0.0118     -0.0153     -0.1104                  x06_c6h12.079308.002
 vib mode 52         9 H            0.4649     -0.0093      0.0730                  x06_c6h12.079308.002
 vib mode 52        10 H            0.0086     -0.0201      0.1107                  x06_c6h12.079308.002
 vib mode 52        11 H           -0.0562      0.0417      0.0855                  x06_c6h12.079308.002
 vib mode 52        12 H           -0.0084      0.0681     -0.0807                  x06_c6h12.079308.002
 vib mode 52        13 H           -0.0126      0.0175     -0.1099                  x06_c6h12.079308.002
 vib mode 52        14 H            0.2269      0.4103     -0.0717                  x06_c6h12.079308.002
 vib mode 52        15 H           -0.4659      0.0078      0.0767                  x06_c6h12.079308.002
 vib mode 52        16 H           -0.0079      0.0179      0.1120                  x06_c6h12.079308.002
 vib mode 52        17 H            0.0560     -0.0428      0.0830                  x06_c6h12.079308.002
 vib mode 52        18 H            0.0079     -0.0672     -0.0831                  x06_c6h12.079308.002
#
#vib mode 53                             x           y           z                  (f=  3099.4 cm-1)
 vib mode 53         1 C           -0.0132     -0.0272     -0.0167                  x06_c6h12.079308.002
 vib mode 53         2 C           -0.0303      0.0026     -0.0165                  x06_c6h12.079308.002
 vib mode 53         3 C           -0.0109     -0.0067      0.0410                  x06_c6h12.079308.002
 vib mode 53         4 C           -0.0131     -0.0276      0.0163                  x06_c6h12.079308.002
 vib mode 53         5 C           -0.0300      0.0022      0.0166                  x06_c6h12.079308.002
 vib mode 53         6 C           -0.0112     -0.0059     -0.0411                  x06_c6h12.079308.002
 vib mode 53         7 H            0.1685      0.3026      0.0570                  x06_c6h12.079308.002
 vib mode 53         8 H           -0.0142      0.0241      0.1441                  x06_c6h12.079308.002
 vib mode 53         9 H            0.3468     -0.0068      0.0532                  x06_c6h12.079308.002
 vib mode 53        10 H            0.0154     -0.0273      0.1447                  x06_c6h12.079308.002
 vib mode 53        11 H            0.1631     -0.1275     -0.2460                  x06_c6h12.079308.002
 vib mode 53        12 H           -0.0310      0.2089     -0.2413                  x06_c6h12.079308.002
 vib mode 53        13 H           -0.0152      0.0270     -0.1432                  x06_c6h12.079308.002
 vib mode 53        14 H            0.1686      0.3045     -0.0520                  x06_c6h12.079308.002
 vib mode 53        15 H            0.3440     -0.0056     -0.0554                  x06_c6h12.079308.002
 vib mode 53        16 H            0.0143     -0.0241     -0.1443                  x06_c6h12.079308.002
 vib mode 53        17 H            0.1653     -0.1329      0.2430                  x06_c6h12.079308.002
 vib mode 53        18 H           -0.0294      0.2040      0.2459                  x06_c6h12.079308.002
#
#vib mode 54                             x           y           z                  (f=  3106.1 cm-1)
 vib mode 54         1 C           -0.0092     -0.0238     -0.0262                  x06_c6h12.079308.002
 vib mode 54         2 C           -0.0254      0.0045     -0.0260                  x06_c6h12.079308.002
 vib mode 54         3 C            0.0110      0.0068     -0.0393                  x06_c6h12.079308.002
 vib mode 54         4 C            0.0091      0.0245     -0.0258                  x06_c6h12.079308.002
 vib mode 54         5 C            0.0253     -0.0039     -0.0263                  x06_c6h12.079308.002
 vib mode 54         6 C           -0.0113     -0.0059     -0.0393                  x06_c6h12.079308.002
 vib mode 54         7 H            0.1343      0.2402      0.0450                  x06_c6h12.079308.002
 vib mode 54         8 H           -0.0206      0.0437      0.2660                  x06_c6h12.079308.002
 vib mode 54         9 H            0.2744     -0.0049      0.0418                  x06_c6h12.079308.002
 vib mode 54        10 H            0.0306     -0.0450      0.2665                  x06_c6h12.079308.002
 vib mode 54        11 H           -0.1579      0.1245      0.2382                  x06_c6h12.079308.002
 vib mode 54        12 H            0.0309     -0.2027      0.2335                  x06_c6h12.079308.002
 vib mode 54        13 H            0.0225     -0.0493      0.2654                  x06_c6h12.079308.002
 vib mode 54        14 H           -0.1344     -0.2420      0.0411                  x06_c6h12.079308.002
 vib mode 54        15 H           -0.2744      0.0040      0.0439                  x06_c6h12.079308.002
 vib mode 54        16 H           -0.0287      0.0396      0.2677                  x06_c6h12.079308.002
 vib mode 54        17 H            0.1592     -0.1290      0.2339                  x06_c6h12.079308.002
 vib mode 54        18 H           -0.0292      0.1972      0.2371                  x06_c6h12.079308.002
#
#spe check                       pbe0_6311gd                                        (au)
 spe check       tmol            -235.620086                                        x06_c6h12.079308.002
 spe check       mrcc            -235.620085                                        x06_c6h12.079308.002
 spe check       orca            -235.620186                                        x06_c6h12.079308.002
#
#spe cation                      pbe0_6311gd                                        (au)
 spe cation      tmol            -235.243329                                        x06_c6h12.079308.002
 spe cation      mrcc            -235.243250                                        x06_c6h12.079308.002
 spe cation      orca            -235.244233                                        x06_c6h12.079308.002
#
#spe std                                                                            (au)
 spe std         hf_2sp          -234.092959                                        x06_c6h12.079308.002
 spe std         hf_2sd          -234.176610                                        x06_c6h12.079308.002
 spe std         hf_3psd         -234.207518                                        x06_c6h12.079308.002
 spe std         hf_3            -234.274727                                        x06_c6h12.079308.002
 spe std         hf_4            -234.289200                                        x06_c6h12.079308.002
 spe std         hf_34           -234.292727                                        x06_c6h12.079308.002
 spe std         hf_631gd        -234.195332                                        x06_c6h12.079308.002
 spe std         hf_tzvp         -234.268790                                        x06_c6h12.079308.002
 spe std         hf_cvtz         -234.275935                                        x06_c6h12.079308.002
 spe std         mp2_2sp         -234.629611                                        x06_c6h12.079308.002
 spe std         mp2_2sd         -234.954052                                        x06_c6h12.079308.002
 spe std         mp2_3psd        -235.073932                                        x06_c6h12.079308.002
 spe std         mp2_3           -235.319308                                        x06_c6h12.079308.002
 spe std         mp2_4           -235.397146                                        x06_c6h12.079308.002
 spe std         mp2_34          -235.453219                                        x06_c6h12.079308.002
 spe std         mp2_tzvp        -235.169587                                        x06_c6h12.079308.002
 spe std         mp2full_cvtz    -235.611902                                        x06_c6h12.079308.002
 spe std         cc2_tzvp        -235.177744                                        x06_c6h12.079308.002
 spe std         ccsd_2sp        -234.700996                                        x06_c6h12.079308.002
 spe std         ccsd_2sd        -235.026766                                        x06_c6h12.079308.002
 spe std         ccsd_3psd       -235.140307                                        x06_c6h12.079308.002
 spe std         ccsd_t_2sp      -234.715744                                        x06_c6h12.079308.002
 spe std         ccsd_t_2sd      -235.051605                                        x06_c6h12.079308.002
 spe std         b3lyp_631ppgdp  -235.887604                                        x06_c6h12.079308.002
 spe std         b3lyp_augpcs1   -235.818428                                        x06_c6h12.079308.002
 spe std         pbe0_631ppgdp   -235.595085                                        x06_c6h12.079308.002
 spe std         pbe0_augpc1     -235.542839                                        x06_c6h12.079308.002
 spe std         pbe0_augpcs1    -235.524599                                        x06_c6h12.079308.002
 spe std         pbe0d3_6311gd   -235.627738                                        x06_c6h12.079308.002
#
#spe comp                                                                           (au)
 spe comp        b5              -235.835818                                        x06_c6h12.079308.002
 spe comp        b6              -235.832067                                        x06_c6h12.079308.002
 spe comp        eccsd           -235.495035                                        x06_c6h12.079308.002
#
#wf_diag   
 wf_diag         d1_2sp             0.0134                                          x06_c6h12.079308.002
 wf_diag         t1_2sp             0.0058                                          x06_c6h12.079308.002
 wf_diag         t1_2sd             0.0089                                          x06_c6h12.079308.002
 wf_diag         t1_3psd            0.0107                                          x06_c6h12.079308.002
#
#at2_gen         
 at2_gen         bsr_left                molecule  +  6 CH4                         x06_c6h12.079308.002
 at2_gen         bsr_right             6 H3C-CH3                                    x06_c6h12.079308.002
 at2_gen         t1                 0.0089                                          x06_c6h12.079308.002
 at2_gen         t1exc              0.0007                                          x06_c6h12.079308.002
#
#at2_um                              val         unc                                (kcal/mol)
 at2_um  zpe                      105.56        0.86                                x06_c6h12.079308.002
#
#at2_um          b5                  val         unc                                (kcal/mol)
 at2_um  ereac   b5                 5.06        0.58                                x06_c6h12.079308.002
 at2_um  eae     b5              1759.19        0.94                                x06_c6h12.079308.002
 at2_um  ea0     b5              1653.63        1.28                                x06_c6h12.079308.002
 at2_um  hf0     b5               -13.86        1.28                                x06_c6h12.079308.002
 at2_um  hf298   b5               -23.14        1.30                                x06_c6h12.079308.002
#
#at2_um          b6                  val         unc                                (kcal/mol)
 at2_um  ereac   b6                 5.01        1.22                                x06_c6h12.079308.002
 at2_um  eae     b6              1759.15        1.43                                x06_c6h12.079308.002
 at2_um  ea0     b6              1653.59        1.67                                x06_c6h12.079308.002
 at2_um  hf0     b6               -13.82        1.67                                x06_c6h12.079308.002
 at2_um  hf298   b6               -23.09        1.68                                x06_c6h12.079308.002
#
#at2_um          eccsd               val         unc                                (kcal/mol)
 at2_um  ereac   eccsd              5.76        3.10                                x06_c6h12.079308.002
 at2_um  eae     eccsd           1759.90        3.19                                x06_c6h12.079308.002
 at2_um  ea0     eccsd           1654.34        3.31                                x06_c6h12.079308.002
 at2_um  hf0     eccsd            -14.57        3.31                                x06_c6h12.079308.002
 at2_um  hf298   eccsd            -23.84        3.31                                x06_c6h12.079308.002
#
#at2_std                                                                            (kcal/mol)
 at2_std zpe                      105.24                                            x06_c6h12.079308.002
#
#at2_std         b5                                                                 (kcal/mol)
 at2_std ereac   b5                 5.33                                            x06_c6h12.079308.002
 at2_std eae     b5              1759.03                                            x06_c6h12.079308.002
 at2_std ea0     b5              1653.79                                            x06_c6h12.079308.002
 at2_std hf0     b5               -14.02                                            x06_c6h12.079308.002
 at2_std hf298   b5               -23.30                                            x06_c6h12.079308.002
#
#at2_std         b6                                                                 (kcal/mol)
 at2_std ereac   b6                 5.33                                            x06_c6h12.079308.002
 at2_std eae     b6              1759.02                                            x06_c6h12.079308.002
 at2_std ea0     b6              1653.79                                            x06_c6h12.079308.002
 at2_std hf0     b6               -14.02                                            x06_c6h12.079308.002
 at2_std hf298   b6               -23.29                                            x06_c6h12.079308.002
#
#at2_std         eccsd                                                              (kcal/mol)
 at2_std ereac   eccsd              5.01                                            x06_c6h12.079308.002
 at2_std eae     eccsd           1758.71                                            x06_c6h12.079308.002
 at2_std ea0     eccsd           1653.47                                            x06_c6h12.079308.002
 at2_std hf0     eccsd            -13.70                                            x06_c6h12.079308.002
 at2_std hf298   eccsd            -22.98                                            x06_c6h12.079308.002
#
#orb                                  ehomo       elumo                             (au)
 orb             hf_3              -0.42490     0.13750                             x06_c6h12.079308.002
 orb             hf_4              -0.42501     0.11225                             x06_c6h12.079308.002
 orb             hf_631gd          -0.42436     0.21810                             x06_c6h12.079308.002
 orb             hf_cvtz           -0.42493     0.13733                             x06_c6h12.079308.002
 orb             hf_tzvp           -0.42531     0.13723                             x06_c6h12.079308.002
 orb             b3lyp_631ppgdp    -0.29659    -0.00888                             x06_c6h12.079308.002
 orb             b3lyp_augpcs1     -0.29823    -0.01093                             x06_c6h12.079308.002
 orb             pbe0_631ppgdp     -0.30255    -0.00013                             x06_c6h12.079308.002
 orb             pbe0_6311gd       -0.30428     0.04826                             x06_c6h12.079308.002
 orb             pbe0_augpc1       -0.30378    -0.00332                             x06_c6h12.079308.002
 orb             pbe0_augpcs1      -0.30392    -0.00329                             x06_c6h12.079308.002
#
#exc                                    ene          os                             (au)
 exc                 1              0.31994     0.00000                             x06_c6h12.079308.002
 exc                 2              0.32205     0.00384                             x06_c6h12.079308.002
 exc                 3              0.32444     0.00461                             x06_c6h12.079308.002
 exc                 4              0.34598     0.04629                             x06_c6h12.079308.002
 exc                 5              0.35027     0.02596                             x06_c6h12.079308.002
#
#nmr                              b3lyp_      b3lyp_       pbe0_       pbe0_        (ppm)
#nmr                            631ppgdp     augpcs1    631ppgdp     augpcs1
 nmr                 1 C          170.85      159.44      176.10      165.98        x06_c6h12.079308.002
 nmr                 2 C          170.82      159.41      176.08      165.96        x06_c6h12.079308.002
 nmr                 3 C          168.50      157.04      173.80      163.63        x06_c6h12.079308.002
 nmr                 4 C          170.84      159.44      176.10      165.99        x06_c6h12.079308.002
 nmr                 5 C          170.83      159.41      176.08      165.96        x06_c6h12.079308.002
 nmr                 6 C          168.51      157.04      173.80      163.62        x06_c6h12.079308.002
 nmr                 7 H           30.28       30.11       30.20       30.02        x06_c6h12.079308.002
 nmr                 8 H           30.24       30.11       30.18       30.03        x06_c6h12.079308.002
 nmr                 9 H           30.28       30.11       30.21       30.02        x06_c6h12.079308.002
 nmr                10 H           30.24       30.11       30.19       30.02        x06_c6h12.079308.002
 nmr                11 H           30.15       29.98       30.08       29.88        x06_c6h12.079308.002
 nmr                12 H           30.14       29.98       30.08       29.88        x06_c6h12.079308.002
 nmr                13 H           30.24       30.11       30.18       30.03        x06_c6h12.079308.002
 nmr                14 H           30.28       30.11       30.20       30.02        x06_c6h12.079308.002
 nmr                15 H           30.28       30.11       30.21       30.02        x06_c6h12.079308.002
 nmr                16 H           30.24       30.11       30.19       30.02        x06_c6h12.079308.002
 nmr                17 H           30.15       29.98       30.08       29.88        x06_c6h12.079308.002
 nmr                18 H           30.14       29.98       30.07       29.88        x06_c6h12.079308.002
#
#chg 1 :         pbe0_augpc1           esp         mul         loe         nat      (au)
 chg 1               1 C           -0.0080     -0.4454     -0.1775     -0.4442      x06_c6h12.079308.002
 chg 1               2 C           -0.0076     -0.4453     -0.1774     -0.4441      x06_c6h12.079308.002
 chg 1               3 C           -0.0553     -0.4074     -0.1661     -0.4362      x06_c6h12.079308.002
 chg 1               4 C           -0.0078     -0.4456     -0.1775     -0.4441      x06_c6h12.079308.002
 chg 1               5 C           -0.0058     -0.4458     -0.1774     -0.4441      x06_c6h12.079308.002
 chg 1               6 C           -0.0532     -0.4078     -0.1662     -0.4363      x06_c6h12.079308.002
 chg 1               7 H            0.0015      0.1030      0.0870      0.2277      x06_c6h12.079308.002
 chg 1               8 H            0.0168      0.3239      0.0870      0.2148      x06_c6h12.079308.002
 chg 1               9 H            0.0013      0.1035      0.0870      0.2276      x06_c6h12.079308.002
 chg 1              10 H            0.0172      0.3239      0.0870      0.2148      x06_c6h12.079308.002
 chg 1              11 H            0.0165      0.2218      0.0865      0.2198      x06_c6h12.079308.002
 chg 1              12 H            0.0164      0.2227      0.0866      0.2198      x06_c6h12.079308.002
 chg 1              13 H            0.0171      0.3239      0.0870      0.2148      x06_c6h12.079308.002
 chg 1              14 H            0.0016      0.1030      0.0869      0.2277      x06_c6h12.079308.002
 chg 1              15 H            0.0011      0.1034      0.0870      0.2276      x06_c6h12.079308.002
 chg 1              16 H            0.0164      0.3239      0.0870      0.2148      x06_c6h12.079308.002
 chg 1              17 H            0.0159      0.2217      0.0866      0.2198      x06_c6h12.079308.002
 chg 1              18 H            0.0158      0.2227      0.0866      0.2198      x06_c6h12.079308.002
#
#chg 2 :         hf_631gd              esp         mul         loe         nat      (au)
 chg 2               1 C            0.0028     -0.3287     -0.2343     -0.4355      x06_c6h12.079308.002
 chg 2               2 C            0.0036     -0.3287     -0.2343     -0.4355      x06_c6h12.079308.002
 chg 2               3 C           -0.0487     -0.3118     -0.2323     -0.4303      x06_c6h12.079308.002
 chg 2               4 C            0.0025     -0.3287     -0.2343     -0.4355      x06_c6h12.079308.002
 chg 2               5 C            0.0048     -0.3287     -0.2343     -0.4355      x06_c6h12.079308.002
 chg 2               6 C           -0.0470     -0.3118     -0.2323     -0.4303      x06_c6h12.079308.002
 chg 2               7 H           -0.0039      0.1656      0.1194      0.2237      x06_c6h12.079308.002
 chg 2               8 H            0.0120      0.1582      0.1140      0.2101      x06_c6h12.079308.002
 chg 2               9 H           -0.0041      0.1656      0.1194      0.2237      x06_c6h12.079308.002
 chg 2              10 H            0.0122      0.1582      0.1140      0.2101      x06_c6h12.079308.002
 chg 2              11 H            0.0127      0.1608      0.1171      0.2168      x06_c6h12.079308.002
 chg 2              12 H            0.0126      0.1608      0.1170      0.2168      x06_c6h12.079308.002
 chg 2              13 H            0.0123      0.1582      0.1140      0.2101      x06_c6h12.079308.002
 chg 2              14 H           -0.0037      0.1656      0.1194      0.2237      x06_c6h12.079308.002
 chg 2              15 H           -0.0042      0.1656      0.1194      0.2237      x06_c6h12.079308.002
 chg 2              16 H            0.0116      0.1582      0.1140      0.2101      x06_c6h12.079308.002
 chg 2              17 H            0.0122      0.1608      0.1171      0.2168      x06_c6h12.079308.002
 chg 2              18 H            0.0122      0.1608      0.1170      0.2168      x06_c6h12.079308.002
#
#elec pol                       pbe0_augpc1                                         (au)
 elec pol             xx           73.017                                           x06_c6h12.079308.002
 elec pol             yy           73.435                                           x06_c6h12.079308.002
 elec pol             zz           63.694                                           x06_c6h12.079308.002
 elec pol             xy           -0.362                                           x06_c6h12.079308.002
 elec pol             xz           -0.036                                           x06_c6h12.079308.002
 elec pol             yz            0.102                                           x06_c6h12.079308.002
#
#elec dip                       pbe0_augpc1                hf_631gd                 (au)
 elec dip              x           -0.000                   0.000                   x06_c6h12.079308.002
 elec dip              y           -0.000                  -0.000                   x06_c6h12.079308.002
 elec dip              z           -0.000                  -0.000                   x06_c6h12.079308.002
#
#elec qua                       pbe0_augpc1                hf_631gd                 (au)
 elec qua             xx          -30.039                 -30.184                   x06_c6h12.079308.002
 elec qua             yy          -30.158                 -30.292                   x06_c6h12.079308.002
 elec qua             zz          -29.697                 -29.781                   x06_c6h12.079308.002
 elec qua             xy            0.103                   0.093                   x06_c6h12.079308.002
 elec qua             xz            0.002                   0.002                   x06_c6h12.079308.002
 elec qua             yz           -0.005                  -0.006                   x06_c6h12.079308.002
#
#elec oct                       pbe0_augpc1                hf_631gd                 (au)
 elec oct            xxx           -1.276                  -1.282                   x06_c6h12.079308.002
 elec oct            yyy           -0.090                  -0.090                   x06_c6h12.079308.002
 elec oct            zzz           -0.507                  -0.510                   x06_c6h12.079308.002
 elec oct            xxy            0.010                   0.010                   x06_c6h12.079308.002
 elec oct            xxz           -1.691                  -1.679                   x06_c6h12.079308.002
 elec oct            xyy           -0.435                  -0.436                   x06_c6h12.079308.002
 elec oct            yyz            1.340                   1.331                   x06_c6h12.079308.002
 elec oct            xzz           -0.387                  -0.388                   x06_c6h12.079308.002
 elec oct            yzz            0.011                   0.011                   x06_c6h12.079308.002
 elec oct            xyz            0.878                   0.872                   x06_c6h12.079308.002
